[1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate

C18H17ClO5 — CID 16560185

IUPAC[1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClO5/c1-11(17(20)12-7-9-13(19)10-8-12)24-18(21)16-14(22-2)5-4-6-15(16)23-3/h4-11H,1-3H3
InChIKeyFKYQPLSZXQXPJN-UHFFFAOYSA-N
MW348.78 g/mol
LogP3.79
Rot. Bonds6

About [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate

[1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate (PubChem CID 16560185) has the molecular formula C18H17ClO5 and a molecular weight of 348.78 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
PubChem CID16560185
Molecular FormulaC18H17ClO5
Molecular Weight348.78 g/mol
Exact Mass348.08
IUPAC Name[1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClO5/c1-11(17(20)12-7-9-13(19)10-8-12)24-18(21)16-14(22-2)5-4-6-15(16)23-3/h4-11H,1-3H3
InChIKeyFKYQPLSZXQXPJN-UHFFFAOYSA-N
XLogP3.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate 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)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513561
[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513587
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 3600249
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 7170397
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 8-methoxy-2-oxochromene-3-carboxylate
CID 2146262
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786517
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7582295
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7889661
[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7235628
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 7845689
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476787
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 7723640

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate?
The IUPAC name of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate (CID 16560185) is [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate?
The canonical SMILES for [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OC(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate?
The InChIKey is FKYQPLSZXQXPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO5/c1-11(17(20)12-7-9-13(19)10-8-12)24-18(21)16-14(22-2)5-4-6-15(16)23-3/h4-11H,1-3H3.
What are the key properties of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate?
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate has a molecular weight of 348.78 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 16560185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).