4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol

C16H24O2 — CID 114191696

IUPAC4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(C)(O)CCC2CCCC2)cc1
InChIInChI=1S/C16H24O2/c1-16(17,12-11-13-5-3-4-6-13)14-7-9-15(18-2)10-8-14/h7-10,13,17H,3-6,11-12H2,1-2H3
InChIKeyWJQSACOWJZNYNB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.87
Rot. Bonds5

About 4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol

4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol (PubChem CID 114191696) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol
PubChem CID114191696
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(C)(O)CCC2CCCC2)cc1
InChIInChI=1S/C16H24O2/c1-16(17,12-11-13-5-3-4-6-13)14-7-9-15(18-2)10-8-14/h7-10,13,17H,3-6,11-12H2,1-2H3
InChIKeyWJQSACOWJZNYNB-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
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4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol
CID 66002453
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol
CID 82045025
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CID 91658263
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
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3-cyclopentyl-N-(4-methoxyphenyl)propanamide
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1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane
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(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol (CID 114191696) is 4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol is COc1ccc(C(C)(O)CCC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol?
The InChIKey is WJQSACOWJZNYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-16(17,12-11-13-5-3-4-6-13)14-7-9-15(18-2)10-8-14/h7-10,13,17H,3-6,11-12H2,1-2H3.
What are the key properties of 4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol?
4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 114191696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).