[4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol

C22H28O2 — CID 153141221

IUPAC[4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol
SMILESCOc1cccc([C@@H](C)CC2CCC(c3ccc(CO)cc3)C2)c1
InChIInChI=1S/C22H28O2/c1-16(20-4-3-5-22(14-20)24-2)12-18-8-11-21(13-18)19-9-6-17(15-23)7-10-19/h3-7,9-10,14,16,18,21,23H,8,11-13,15H2,1-2H3/t16-,18?,21?/m0/s1
InChIKeyVYQUIKVNKPSLMH-AFJQURTJSA-N
MW324.46 g/mol
LogP5.26
Rot. Bonds6

About [4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol

[4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol (PubChem CID 153141221) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is [4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol
PubChem CID153141221
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name[4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol
SMILESCOc1cccc([C@@H](C)CC2CCC(c3ccc(CO)cc3)C2)c1
InChIInChI=1S/C22H28O2/c1-16(20-4-3-5-22(14-20)24-2)12-18-8-11-21(13-18)19-9-6-17(15-23)7-10-19/h3-7,9-10,14,16,18,21,23H,8,11-13,15H2,1-2H3/t16-,18?,21?/m0/s1
InChIKeyVYQUIKVNKPSLMH-AFJQURTJSA-N
XLogP5.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
CID 125472378
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
CID 58422845
5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide
CID 161066951
3-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493506
1-fluoro-4-methoxy-2-[(2S)-1-[(3S)-3-(4-methylsulfonylphenyl)cyclopentyl]propan-2-yl]benzene
CID 158069261
(2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid
CID 118301937
1-(4-cyclopropylphenyl)-2-(3-methoxyphenyl)ethanol
CID 79980257
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
2-[4-(hydroxymethyl)phenoxy]-2-(3-methoxyphenyl)acetaldehyde
CID 87407074
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
2-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493505
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol?
The IUPAC name of [4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol (CID 153141221) is [4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol.
What is the SMILES notation for [4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol?
The canonical SMILES for [4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol is COc1cccc([C@@H](C)CC2CCC(c3ccc(CO)cc3)C2)c1.
What is the InChIKey of [4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol?
The InChIKey is VYQUIKVNKPSLMH-AFJQURTJSA-N. The full InChI is InChI=1S/C22H28O2/c1-16(20-4-3-5-22(14-20)24-2)12-18-8-11-21(13-18)19-9-6-17(15-23)7-10-19/h3-7,9-10,14,16,18,21,23H,8,11-13,15H2,1-2H3/t16-,18?,21?/m0/s1.
What are the key properties of [4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol?
[4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol has a molecular weight of 324.46 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol is sourced from PubChem (CID 153141221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).