Basic information
- CAS
4338-64-1- Standard SMILES
CCCCCCCCC(C)c1ccccc1O- InChIKey
YYUUSAFRJJBDDU-UHFFFAOYSA-N- Molecular formula
- C16H26O
- Average molar mass
- 234.38 g/mol
- Monoisotopic mass
- 234.19836545
Names & identifiers
- Preferred name
- 2-(1-Methylnonyl)phenol
- IUPAC
- 2-decan-2-ylphenol
- English name
- 2-(1-methylnonyl)phenol
- Molecular formula
- C16H26O
- Molecular weight
- 234.38
Names & synonyms
2-(1-Methylnonyl)phenol4338-64-1RefChem:1060661224-390-9o-(1-Methyl-N-nonyl)phenolPhenol, o-(1-methylnonyl)-Phenol, 2-(1-methylnonyl)-Phenol,2-(1-methylnonyl)-2-(2-Decyl)phenolsec-DecylphenolEINECS 224-390-9NSC 202834
Show more names
o-(Decane-2-yl)phenol
BRN 2098335s-decylphenolEINECS 299-460-54-06-00-03523 (Beilstein Handbook Reference)SCHEMBL982149WLN: QR BY8&1YYUUSAFRJJBDDU-UHFFFAOYSA-NNSC202834
Database identifiers
- CAS
4338-64-1、93891-77-1- PubChem CID
- 99743
- DTXSID
DTXSID30917354- EC Number
- 224-390-9、299-460-5
- Nikkaji
- J50.158A
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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