2-Naphthaldehyde, 3-hydroxy-8-isopropyl-5-methyl-
Basic information
- CAS
18478-73-4- Standard SMILES
Cc1ccc(C(C)C)c2cc(C=O)c(O)cc12- InChIKey
CHHSYJHKOZHOAY-UHFFFAOYSA-N- Molecular formula
- C15H16O2
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.11502975
Overview
2-Naphthaldehyde, 3-hydroxy-8-isopropyl-5-methyl- has been reported in Ulmus glabra with data available.
Names & identifiers
- Preferred name
- 2-Naphthaldehyde, 3-hydroxy-8-isopropyl-5-methyl-
- IUPAC
- 3-hydroxy-5-methyl-8-propan-2-ylnaphthalene-2-carbaldehyde
- English name
- 3-Hydroxy-5-methyl-8-(1-methylethyl)-2-naphthalenecarbaldehyde
- Molecular formula
- C15H16O2
- Molecular weight
- 228.29
Names & synonyms
7-Hydroxycadalenal2-Naphthaldehyde, 3-hydroxy-8-isopropyl-5-methyl-3-hydroxy-5-methyl-8-propan-2-ylnaphthalene-2-carbaldehydeDTXSID402971542-Naphthalenecarboxaldehyde, 3-hydroxy-5-methyl-8-(1-methylethyl)-RefChem:264068DTXCID30248291CHHSYJHKOZHOAY-UHFFFAOYSA-N18478-73-43-Hydroxy-8-isopropyl-5-methyl-2-naphthaldehyde3-hydroxy-5-methyl-8-(propan-2-yl)naphthalene-2-carbaldehydeNSC114548
Show more names
3-Hydroxy-5-methyl-8-(1-methylethyl)-2-naphthalenecarbaldehydeSCHEMBL103253923-hydroxy-5-methyl-8-propan-2-yl-naphthalene-2-carbaldehydeNSC-114548DS-0142503-Hydroxy-8-isopropyl-5-methyl-2-naphthaldehyd3-Hydroxy-8-isopropyl-5-methyl-2-naphthaldehyde #
Database identifiers
- CAS
18478-73-4- PubChem CID
- 271125
- DTXSID
DTXSID40297154- Nikkaji
- J117.101A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 361.443 · 361.443±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.009 · 8.009±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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