[3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol

C16H24O3 — CID 64734954

IUPAC[3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OC1CC(C)CC(C)C1
InChIInChI=1S/C16H24O3/c1-11-6-12(2)8-14(7-11)19-16-9-13(10-17)4-5-15(16)18-3/h4-5,9,11-12,14,17H,6-8,10H2,1-3H3
InChIKeyVXJQJJGCZWNHOE-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.39
Rot. Bonds4

About [3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol

[3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol (PubChem CID 64734954) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is [3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
PubChem CID64734954
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name[3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OC1CC(C)CC(C)C1
InChIInChI=1S/C16H24O3/c1-11-6-12(2)8-14(7-11)19-16-9-13(10-17)4-5-15(16)18-3/h4-5,9,11-12,14,17H,6-8,10H2,1-3H3
InChIKeyVXJQJJGCZWNHOE-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-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
CID 117389372
3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol
CID 107669388
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
4-(3,5-dimethylcyclohexyl)oxy-3-methoxybenzenecarbothioamide
CID 64737082
[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
CID 107743165
5-[(3,5-dimethylcyclohexyl)oxymethyl]-2-methoxybenzenecarbothioamide
CID 65344197
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64747530
1-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxy-3-methoxybenzene
CID 64737673
[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
CID 79898781
[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid
CID 142791148
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol?
The IUPAC name of [3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol (CID 64734954) is [3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol?
The canonical SMILES for [3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol is COc1ccc(CO)cc1OC1CC(C)CC(C)C1.
What is the InChIKey of [3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol?
The InChIKey is VXJQJJGCZWNHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-6-12(2)8-14(7-11)19-16-9-13(10-17)4-5-15(16)18-3/h4-5,9,11-12,14,17H,6-8,10H2,1-3H3.
What are the key properties of [3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol?
[3-(3,5-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 [3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol is sourced from PubChem (CID 64734954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).