1-(2-chlorophenyl)-1-methoxybutan-2-one

C11H13ClO2 — CID 83226542

IUPAC1-(2-chlorophenyl)-1-methoxybutan-2-one
SMILESCCC(=O)C(OC)c1ccccc1Cl
InChIInChI=1S/C11H13ClO2/c1-3-10(13)11(14-2)8-6-4-5-7-9(8)12/h4-7,11H,3H2,1-2H3
InChIKeyPNORYAWYALRGGY-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.01
Rot. Bonds4

About 1-(2-chlorophenyl)-1-methoxybutan-2-one

1-(2-chlorophenyl)-1-methoxybutan-2-one (PubChem CID 83226542) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-methoxybutan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-methoxybutan-2-one
PubChem CID83226542
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(2-chlorophenyl)-1-methoxybutan-2-one
SMILESCCC(=O)C(OC)c1ccccc1Cl
InChIInChI=1S/C11H13ClO2/c1-3-10(13)11(14-2)8-6-4-5-7-9(8)12/h4-7,11H,3H2,1-2H3
InChIKeyPNORYAWYALRGGY-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-1-methoxybutan-2-one 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

(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
2-(2-chlorophenyl)-2-methoxy-N-methyl-N-pentan-3-ylacetamide
CID 155964926
1-(2,4-difluorophenyl)-1-methoxybutan-2-one
CID 83225368
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
ethyl 2-(2-chlorophenyl)-2-phenoxyacetate
CID 117065643
2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride
CID 88797101
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
[1-(2-chlorophenyl)-2-methoxybutyl]carbamic acid
CID 175407275
2-(2-chlorophenyl)butanoate
CID 22456439
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
2-[1-(2-chlorophenyl)ethylamino]butanamide
CID 62899850

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-methoxybutan-2-one?
The IUPAC name of 1-(2-chlorophenyl)-1-methoxybutan-2-one (CID 83226542) is 1-(2-chlorophenyl)-1-methoxybutan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-1-methoxybutan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-1-methoxybutan-2-one is CCC(=O)C(OC)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-methoxybutan-2-one?
The InChIKey is PNORYAWYALRGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-3-10(13)11(14-2)8-6-4-5-7-9(8)12/h4-7,11H,3H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-methoxybutan-2-one?
1-(2-chlorophenyl)-1-methoxybutan-2-one has a molecular weight of 212.68 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-methoxybutan-2-one is sourced from PubChem (CID 83226542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).