2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol

C15H21ClO2 — CID 117425608

IUPAC2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol
SMILESCOc1c(Cl)cc(C(C)(C)O)cc1C1CCCC1
InChIInChI=1S/C15H21ClO2/c1-15(2,17)11-8-12(10-6-4-5-7-10)14(18-3)13(16)9-11/h8-10,17H,4-7H2,1-3H3
InChIKeyIXCAEXNIFGDNPZ-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.23
Rot. Bonds3

About 2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol

2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol (PubChem CID 117425608) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol
PubChem CID117425608
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol
SMILESCOc1c(Cl)cc(C(C)(C)O)cc1C1CCCC1
InChIInChI=1S/C15H21ClO2/c1-15(2,17)11-8-12(10-6-4-5-7-10)14(18-3)13(16)9-11/h8-10,17H,4-7H2,1-3H3
InChIKeyIXCAEXNIFGDNPZ-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine
CID 117427939
3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one
CID 117452638
[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine
CID 117492816
1,3,5-tricyclohexyl-2-methoxybenzene
CID 123898644
2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol
CID 540635
(5-tert-butyl-3-chloro-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 50882740
(5-tert-butyl-3-chloro-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95732317
3-cyclohexyl-5-ethyl-4-methoxybenzoic acid
CID 21199331
2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
CID 117318974
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol
CID 117390180

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol (CID 117425608) is 2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol is COc1c(Cl)cc(C(C)(C)O)cc1C1CCCC1.
What is the InChIKey of 2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol?
The InChIKey is IXCAEXNIFGDNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-15(2,17)11-8-12(10-6-4-5-7-10)14(18-3)13(16)9-11/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol?
2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol has a molecular weight of 268.78 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 117425608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).