Phenanthren-2-ol
Basic information
- CAS
605-55-0- Standard SMILES
Oc1ccc2c(ccc3ccccc32)c1- InChIKey
YPWLZGITFNGGKW-UHFFFAOYSA-N- Molecular formula
- C14H10O
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.07316494
Overview
2-phenanthrol is a phenanthrol.
Names & identifiers
- Preferred name
- Phenanthren-2-ol
- IUPAC
- phenanthren-2-ol
- English name
- 2-Hydroxy-phenanthrene
- Molecular formula
- C14H10O
- Molecular weight
- 194.23
Names & synonyms
Phenanthren-2-ol2-Phenanthrol2-Phenanthrenol2-hydroxyphenanthreneNSC 2576JZU8H3H6VMNSC-2576EINECS 210-091-0DTXSID8052722CHEBI:19760YPWLZGITFNGGKW-UHFFFAOYSA-RefChem:172600
Show more names
(2-Bromo-5-methoxy-32-methyl-phenyl)-methano2-Hydroxyphenanthrene 10 μg/mL in Acetonitrile
DTXCID8031312210-091-0InChI=1/C14H10O/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9,15HYPWLZGITFNGGKW-UHFFFAOYSA-N605-55-02-Hydroxy-phenanthrenePHENANTHRENOLMFCD00215968
Database identifiers
- CAS
605-55-0- PubChem CID
- 69061
- DTXSID
DTXSID8052722- ChEBI
CHEBI:19760- UNII
- JZU8H3H6VM
- EC Number
- 210-091-0
- Nikkaji
- J135.669K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 162 · 162-162°C
- Boiling point
- 395 · 395-396 °C
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.57 · 9.57±0.30(Predicted)
- color
- White to Light Grey
- InChI
- InChI=1S/C14H10O/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9,15H
- InChIKey
- YPWLZGITFNGGKW-UHFFFAOYSA-N
- SMILES
- C1=C2C(C3C(C=C2)=CC=CC=3)=CC=C1O
- FDA UNII
- 8 H3H6VM · JZU8H3H6VM
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2907199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesA metabolite of Phenanthrene.
UsesA labelled metabolite of Phenanthrene.
Additional notes
DefinitionChEBI: 2-phenanthrol is a phenanthrol.
Suppliers
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Related reactions
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Compound notes
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