(4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

C17H23ClO2 — CID 115781751

IUPAC(4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCOc1cc(C(=O)C2(CC(C)C)CCCC2)ccc1Cl
InChIInChI=1S/C17H23ClO2/c1-12(2)11-17(8-4-5-9-17)16(19)13-6-7-14(18)15(10-13)20-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyQIGWYORZZJQSPS-UHFFFAOYSA-N
MW294.82 g/mol
LogP5.14
Rot. Bonds5

About (4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

(4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 115781751) has the molecular formula C17H23ClO2 and a molecular weight of 294.82 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID115781751
Molecular FormulaC17H23ClO2
Molecular Weight294.82 g/mol
Exact Mass294.14
IUPAC Name(4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCOc1cc(C(=O)C2(CC(C)C)CCCC2)ccc1Cl
InChIInChI=1S/C17H23ClO2/c1-12(2)11-17(8-4-5-9-17)16(19)13-6-7-14(18)15(10-13)20-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyQIGWYORZZJQSPS-UHFFFAOYSA-N
XLogP5.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.82
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940
[1-(aminomethyl)-4-methylcyclohexyl]-(4-chloro-3-methoxyphenyl)methanone
CID 116604180
(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114962620
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone
CID 79697155
4-amino-1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-one
CID 116594998
(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921712
2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone
CID 114966156
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896
(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone
CID 79700332
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (CID 115781751) is (4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is COc1cc(C(=O)C2(CC(C)C)CCCC2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is QIGWYORZZJQSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO2/c1-12(2)11-17(8-4-5-9-17)16(19)13-6-7-14(18)15(10-13)20-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
(4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 294.82 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 115781751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).