(4-Propan-2-ylcyclohexa-1,3-dien-1-yl)methanol
Basic information
- CAS
1335-14-4- Standard SMILES
CC(C)C1=CC=C(CO)CC1- InChIKey
HBKLKBUNCSHWKO-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
[4-(Propan-2-yl)cyclohexa-1,3-dien-1-yl]methanol has been reported in Xylopia aromatica with data available.
Names & identifiers
- Preferred name
- (4-Propan-2-ylcyclohexa-1,3-dien-1-yl)methanol
- IUPAC
- (4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol
- English name
- Cyclohexadienemethanol, 4-(1-methylethyl)-
- Molecular weight
- 0
Names & synonyms
1335-14-4(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol1413-55-4Cyclohexadienemethanol, 4-(1-methylethyl)-(4-Isopropyl-1,3-cyclohexadien-1-yl)methanolp-Menthadien-7-olAnthemol1,3-Cyclohexadiene-1-methanol, 4-(1-methylethyl)-p-mentha-1,3-dien-7-ol[4-(Propan-2-yl)cyclohexa-1,3-dien-1-yl]methanolSCHEMBL1427812DTXSID50928149
Show more names
HBKLKBUNCSHWKO-UHFFFAOYSA-N4-(1-Methylethyl)cyclohexadienemethanol(4-Isopropyl-1,3-cyclohexadien-1-yl)methanol #
Database identifiers
- CAS
1335-14-4- PubChem CID
- 556567
- DTXSID
DTXSID50928149- Nikkaji
- J786.349G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- LogP
- 3.37 · 3.370 (est)
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Related reactions
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Compound notes
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