[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate

C17H15ClO5 — CID 7626940

IUPAC[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2OC)cc1Cl
InChIInChI=1S/C17H15ClO5/c1-21-15-6-4-3-5-12(15)17(20)23-10-14(19)11-7-8-16(22-2)13(18)9-11/h3-9H,10H2,1-2H3
InChIKeyXQEYMMSDNZOEKM-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.40
Rot. Bonds6

About [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate

[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 7626940) has the molecular formula C17H15ClO5 and a molecular weight of 334.76 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
PubChem CID7626940
Molecular FormulaC17H15ClO5
Molecular Weight334.76 g/mol
Exact Mass334.06
IUPAC Name[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2OC)cc1Cl
InChIInChI=1S/C17H15ClO5/c1-21-15-6-4-3-5-12(15)17(20)23-10-14(19)11-7-8-16(22-2)13(18)9-11/h3-9H,10H2,1-2H3
InChIKeyXQEYMMSDNZOEKM-UHFFFAOYSA-N
XLogP3.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-O-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7488857
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] pyridine-4-carboxylate
CID 7626583
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate
CID 7485451
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8544059
(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
CID 7291387
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2336407
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8508520
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 2511319
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate (CID 7626940) is [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate is COc1ccc(C(=O)COC(=O)c2ccccc2OC)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is XQEYMMSDNZOEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO5/c1-21-15-6-4-3-5-12(15)17(20)23-10-14(19)11-7-8-16(22-2)13(18)9-11/h3-9H,10H2,1-2H3.
What are the key properties of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate?
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 334.76 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 7626940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).