1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol

C16H24O3 — CID 106680334

IUPAC1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
SMILESCOc1cc(C)cc(C)c1C(O)C1(O)CCCCC1
InChIInChI=1S/C16H24O3/c1-11-9-12(2)14(13(10-11)19-3)15(17)16(18)7-5-4-6-8-16/h9-10,15,17-18H,4-8H2,1-3H3
InChIKeyCJLBUSRXRJZETJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.04
Rot. Bonds3

About 1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol

1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol (PubChem CID 106680334) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
PubChem CID106680334
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
SMILESCOc1cc(C)cc(C)c1C(O)C1(O)CCCCC1
InChIInChI=1S/C16H24O3/c1-11-9-12(2)14(13(10-11)19-3)15(17)16(18)7-5-4-6-8-16/h9-10,15,17-18H,4-8H2,1-3H3
InChIKeyCJLBUSRXRJZETJ-UHFFFAOYSA-N
XLogP3.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680299
1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451734
cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679603
1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106682086
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830788
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056
1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol
CID 103452088
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylbutan-1-ol
CID 106682562
(2-fluoro-4,6-dimethylphenyl)-(1-methoxycyclohexyl)methanol
CID 106881183
1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 103452210
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448378

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol (CID 106680334) is 1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol is COc1cc(C)cc(C)c1C(O)C1(O)CCCCC1.
What is the InChIKey of 1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is CJLBUSRXRJZETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-9-12(2)14(13(10-11)19-3)15(17)16(18)7-5-4-6-8-16/h9-10,15,17-18H,4-8H2,1-3H3.
What are the key properties of 1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol?
1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106680334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).