1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol

C15H22O2 — CID 79862440

IUPAC1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCOc1cccc(CC2(O)CCCC2(C)C)c1
InChIInChI=1S/C15H22O2/c1-14(2)8-5-9-15(14,16)11-12-6-4-7-13(10-12)17-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3
InChIKeyOPRVDGBUFHMDQC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.18
Rot. Bonds3

About 1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol

1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79862440) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79862440
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCOc1cccc(CC2(O)CCCC2(C)C)c1
InChIInChI=1S/C15H22O2/c1-14(2)8-5-9-15(14,16)11-12-6-4-7-13(10-12)17-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3
InChIKeyOPRVDGBUFHMDQC-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
CID 66034461
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81313487
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol
CID 79863167
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol (CID 79862440) is 1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol is COc1cccc(CC2(O)CCCC2(C)C)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is OPRVDGBUFHMDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2)8-5-9-15(14,16)11-12-6-4-7-13(10-12)17-3/h4,6-7,10,16H,5,8-9,11H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79862440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).