[(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol

C17H26O2 — CID 11161337

IUPAC[(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol
SMILESCOc1ccc(CC[C@@H]2C[C@H](CO)C(C)(C)C2)cc1
InChIInChI=1S/C17H26O2/c1-17(2)11-14(10-15(17)12-18)5-4-13-6-8-16(19-3)9-7-13/h6-9,14-15,18H,4-5,10-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyYBOBRLKNPYYQFU-HUUCEWRRSA-N
MW262.39 g/mol
LogP3.67
Rot. Bonds5

About [(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol

[(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol (PubChem CID 11161337) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol
PubChem CID11161337
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol
SMILESCOc1ccc(CC[C@@H]2C[C@H](CO)C(C)(C)C2)cc1
InChIInChI=1S/C17H26O2/c1-17(2)11-14(10-15(17)12-18)5-4-13-6-8-16(19-3)9-7-13/h6-9,14-15,18H,4-5,10-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyYBOBRLKNPYYQFU-HUUCEWRRSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene
CID 172994437
2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
CID 10270341
[4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol
CID 118329138
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
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
2-[2-(4-methoxyphenyl)ethyl]adamantane
CID 158701742
4-ethyl-2-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 79422404

Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol?
The IUPAC name of [(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol (CID 11161337) is [(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol.
What is the SMILES notation for [(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol?
The canonical SMILES for [(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol is COc1ccc(CC[C@@H]2C[C@H](CO)C(C)(C)C2)cc1.
What is the InChIKey of [(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol?
The InChIKey is YBOBRLKNPYYQFU-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26O2/c1-17(2)11-14(10-15(17)12-18)5-4-13-6-8-16(19-3)9-7-13/h6-9,14-15,18H,4-5,10-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of [(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol?
[(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol has a molecular weight of 262.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol is sourced from PubChem (CID 11161337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).