[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol

C13H18O2 — CID 125472378

IUPAC[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
SMILESCOc1cccc([C@H]2CC[C@H](CO)C2)c1
InChIInChI=1S/C13H18O2/c1-15-13-4-2-3-11(8-13)12-6-5-10(7-12)9-14/h2-4,8,10,12,14H,5-7,9H2,1H3/t10-,12-/m0/s1
InChIKeyWBAUOVUVNFVWAH-JQWIXIFHSA-N
MW206.29 g/mol
LogP2.57
Rot. Bonds3

About [(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol

[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol (PubChem CID 125472378) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is [(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
PubChem CID125472378
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
SMILESCOc1cccc([C@H]2CC[C@H](CO)C2)c1
InChIInChI=1S/C13H18O2/c1-15-13-4-2-3-11(8-13)12-6-5-10(7-12)9-14/h2-4,8,10,12,14H,5-7,9H2,1H3/t10-,12-/m0/s1
InChIKeyWBAUOVUVNFVWAH-JQWIXIFHSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70274289
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[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 121209485
(2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid
CID 118301937
[4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol
CID 153141221
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349
[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol
CID 143710409
1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene
CID 143036080
3-(3-methoxyphenyl)oxetane
CID 130113867
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-methoxy-3-(4-methylidenecyclohexyl)benzene
CID 89380194

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol?
The IUPAC name of [(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol (CID 125472378) is [(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol?
The canonical SMILES for [(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol is COc1cccc([C@H]2CC[C@H](CO)C2)c1.
What is the InChIKey of [(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol?
The InChIKey is WBAUOVUVNFVWAH-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H18O2/c1-15-13-4-2-3-11(8-13)12-6-5-10(7-12)9-14/h2-4,8,10,12,14H,5-7,9H2,1H3/t10-,12-/m0/s1.
What are the key properties of [(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol?
[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol has a molecular weight of 206.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol is sourced from PubChem (CID 125472378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).