(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone

C14H17ClO2 — CID 107176707

IUPAC(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1CCCC1C
InChIInChI=1S/C14H17ClO2/c1-9-4-3-5-11(9)14(16)12-8-10(15)6-7-13(12)17-2/h6-9,11H,3-5H2,1-2H3
InChIKeyZMXPGNDSAXYKRZ-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.97
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone

(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone (PubChem CID 107176707) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone
PubChem CID107176707
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1CCCC1C
InChIInChI=1S/C14H17ClO2/c1-9-4-3-5-11(9)14(16)12-8-10(15)6-7-13(12)17-2/h6-9,11H,3-5H2,1-2H3
InChIKeyZMXPGNDSAXYKRZ-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176675
(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176355
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551811
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
5-chloro-2-methoxybenzoate
CID 6933314
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 11908881
1-[(5-chloro-2-methoxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8728826

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone (CID 107176707) is (5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone is COc1ccc(Cl)cc1C(=O)C1CCCC1C.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The InChIKey is ZMXPGNDSAXYKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-9-4-3-5-11(9)14(16)12-8-10(15)6-7-13(12)17-2/h6-9,11H,3-5H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone?
(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone has a molecular weight of 252.74 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107176707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).