1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol

C16H24O2 — CID 80698548

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol
SMILESCOc1ccc(CCC2(O)CCC(C)(C)C2)cc1
InChIInChI=1S/C16H24O2/c1-15(2)10-11-16(17,12-15)9-8-13-4-6-14(18-3)7-5-13/h4-7,17H,8-12H2,1-3H3
InChIKeyKYHLYLKMBVGVCR-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.57
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol

1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol (PubChem CID 80698548) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol
PubChem CID80698548
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol
SMILESCOc1ccc(CCC2(O)CCC(C)(C)C2)cc1
InChIInChI=1S/C16H24O2/c1-15(2)10-11-16(17,12-15)9-8-13-4-6-14(18-3)7-5-13/h4-7,17H,8-12H2,1-3H3
InChIKeyKYHLYLKMBVGVCR-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-ol
CID 103564336
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclopentan-1-ol
CID 80698664
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 60897688
1-[2-[(1R,2S)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110349
1-[2-[(1R,2R)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110346
1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol
CID 65444720
3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol
CID 79951268
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699934
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
methyl 3-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-oxocyclohexene-1-carboxylate
CID 11066598
4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one
CID 175624842

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol (CID 80698548) is 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol is COc1ccc(CCC2(O)CCC(C)(C)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol?
The InChIKey is KYHLYLKMBVGVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-15(2)10-11-16(17,12-15)9-8-13-4-6-14(18-3)7-5-13/h4-7,17H,8-12H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol?
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 80698548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).