1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol

C16H24O3 — CID 103452088

IUPAC1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol
SMILESCOc1ccc(C(O)C2(O)CCCCCC2)c(C)c1
InChIInChI=1S/C16H24O3/c1-12-11-13(19-2)7-8-14(12)15(17)16(18)9-5-3-4-6-10-16/h7-8,11,15,17-18H,3-6,9-10H2,1-2H3
InChIKeyQRIRSUREQZEPII-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.12
Rot. Bonds3

About 1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol

1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol (PubChem CID 103452088) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol
PubChem CID103452088
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol
SMILESCOc1ccc(C(O)C2(O)CCCCCC2)c(C)c1
InChIInChI=1S/C16H24O3/c1-12-11-13(19-2)7-8-14(12)15(17)16(18)9-5-3-4-6-10-16/h7-8,11,15,17-18H,3-6,9-10H2,1-2H3
InChIKeyQRIRSUREQZEPII-UHFFFAOYSA-N
XLogP3.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448378
(1-ethoxycyclopentyl)-(4-methoxy-2-methylphenyl)methanol
CID 116753155
1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 141346748
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol
CID 79061364
1-[amino-(4-methoxy-2-methylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070446
1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 107513043
(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755770
2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
CID 164892247
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
CID 22111960
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol
CID 80622075

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol (CID 103452088) is 1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol is COc1ccc(C(O)C2(O)CCCCCC2)c(C)c1.
What is the InChIKey of 1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol?
The InChIKey is QRIRSUREQZEPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-12-11-13(19-2)7-8-14(12)15(17)16(18)9-5-3-4-6-10-16/h7-8,11,15,17-18H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol?
1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol has a molecular weight of 264.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 103452088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).