(2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone

C14H16Cl2O2 — CID 107176675

IUPAC(2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
SMILESCOc1cc(Cl)c(C(=O)C2CCCC2C)cc1Cl
InChIInChI=1S/C14H16Cl2O2/c1-8-4-3-5-9(8)14(17)10-6-12(16)13(18-2)7-11(10)15/h6-9H,3-5H2,1-2H3
InChIKeyXNXZNWIUMZTNTF-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.62
Rot. Bonds3

About (2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone

(2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone (PubChem CID 107176675) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is (2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
PubChem CID107176675
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name(2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
SMILESCOc1cc(Cl)c(C(=O)C2CCCC2C)cc1Cl
InChIInChI=1S/C14H16Cl2O2/c1-8-4-3-5-9(8)14(17)10-6-12(16)13(18-2)7-11(10)15/h6-9H,3-5H2,1-2H3
InChIKeyXNXZNWIUMZTNTF-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176707
(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176355
azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone
CID 116916762
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454
6-chloro-7-(2-methylcyclopentanecarbonyl)-4H-1,4-benzoxazin-3-one
CID 107176403
2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 53411585
(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone
CID 43162240
2-(4-chloro-3-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 81021525
(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone
CID 107186866
3-(2,5-dichloro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116917973

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone (CID 107176675) is (2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone is COc1cc(Cl)c(C(=O)C2CCCC2C)cc1Cl.
What is the InChIKey of (2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The InChIKey is XNXZNWIUMZTNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c1-8-4-3-5-9(8)14(17)10-6-12(16)13(18-2)7-11(10)15/h6-9H,3-5H2,1-2H3.
What are the key properties of (2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
(2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone has a molecular weight of 287.19 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107176675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).