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

C16H24O3 — CID 64739585

IUPAC[2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)c(OC2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H24O3/c1-11-4-6-15(8-12(11)2)19-16-9-14(18-3)7-5-13(16)10-17/h5,7,9,11-12,15,17H,4,6,8,10H2,1-3H3
InChIKeyHVFYGDORLPPRGX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.39
Rot. Bonds4

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

[2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol (PubChem CID 64739585) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is [2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
PubChem CID64739585
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name[2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)c(OC2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H24O3/c1-11-4-6-15(8-12(11)2)19-16-9-14(18-3)7-5-13(16)10-17/h5,7,9,11-12,15,17H,4,6,8,10H2,1-3H3
InChIKeyHVFYGDORLPPRGX-UHFFFAOYSA-N
XLogP3.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylcyclohexyl)oxy-4-methoxybenzonitrile
CID 81306903
[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol
CID 64738178
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
[2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine
CID 107275256
4-[2-(hydroxymethyl)-5-methoxyphenoxy]-1,1-dioxothiolan-3-ol
CID 61268867
1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene
CID 64747945
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
[2-(2,2-difluoroethoxy)-4-methoxyphenyl]methanol
CID 61269046
[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 61267945
[4-methoxy-2-(4-methylphenoxy)phenyl]methanol
CID 54366754
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol?
The IUPAC name of [2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol (CID 64739585) is [2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol.
What is the SMILES notation for [2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol?
The canonical SMILES for [2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol is COc1ccc(CO)c(OC2CCC(C)C(C)C2)c1.
What is the InChIKey of [2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol?
The InChIKey is HVFYGDORLPPRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-4-6-15(8-12(11)2)19-16-9-14(18-3)7-5-13(16)10-17/h5,7,9,11-12,15,17H,4,6,8,10H2,1-3H3.
What are the key properties of [2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol?
[2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol has a molecular weight of 264.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol is sourced from PubChem (CID 64739585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).