[2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol

C17H26O2 — CID 10956370

IUPAC[2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol
SMILESCOc1ccc(CC2C(CO)CCCC2(C)C)cc1
InChIInChI=1S/C17H26O2/c1-17(2)10-4-5-14(12-18)16(17)11-13-6-8-15(19-3)9-7-13/h6-9,14,16,18H,4-5,10-12H2,1-3H3
InChIKeyJGWDEHLWPQAWLB-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.67
Rot. Bonds4

About [2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol

[2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol (PubChem CID 10956370) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol
PubChem CID10956370
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol
SMILESCOc1ccc(CC2C(CO)CCCC2(C)C)cc1
InChIInChI=1S/C17H26O2/c1-17(2)10-4-5-14(12-18)16(17)11-13-6-8-15(19-3)9-7-13/h6-9,14,16,18H,4-5,10-12H2,1-3H3
InChIKeyJGWDEHLWPQAWLB-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S,4aS,8aR)-1-[(3,5-dimethoxyphenyl)methyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol
CID 90280497
[(1R,2S,4aS,8aR)-1-[(3,5-dimethoxyphenyl)methyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol
CID 90280498
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
[(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol
CID 154928225
methyl (1S,2R,3S)-2-benzyl-3-(4-methoxyphenyl)-1-methylcyclohexane-1-carboxylate
CID 10641738
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
S-[2-(4-methoxyphenyl)ethyl] 2,2,6-trimethylcyclohexane-1-carbothioate
CID 138572000
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide
CID 166304545
3-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidine-2-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol?
The IUPAC name of [2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol (CID 10956370) is [2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol is COc1ccc(CC2C(CO)CCCC2(C)C)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol?
The InChIKey is JGWDEHLWPQAWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-17(2)10-4-5-14(12-18)16(17)11-13-6-8-15(19-3)9-7-13/h6-9,14,16,18H,4-5,10-12H2,1-3H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol?
[2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol has a molecular weight of 262.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol is sourced from PubChem (CID 10956370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).