[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate

C17H15ClO5 — CID 2096696

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H15ClO5/c1-21-11-7-8-16(22-2)13(9-11)15(19)10-23-17(20)12-5-3-4-6-14(12)18/h3-9H,10H2,1-2H3
InChIKeyRFJXURVQZPSNTN-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.40
Rot. Bonds6

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate (PubChem CID 2096696) has the molecular formula C17H15ClO5 and a molecular weight of 334.76 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
PubChem CID2096696
Molecular FormulaC17H15ClO5
Molecular Weight334.76 g/mol
Exact Mass334.06
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H15ClO5/c1-21-11-7-8-16(22-2)13(9-11)15(19)10-23-17(20)12-5-3-4-6-14(12)18/h3-9H,10H2,1-2H3
InChIKeyRFJXURVQZPSNTN-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

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7875123
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 30788136
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 2456748
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 7645401
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123261

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate (CID 2096696) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate is COc1ccc(OC)c(C(=O)COC(=O)c2ccccc2Cl)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate?
The InChIKey is RFJXURVQZPSNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO5/c1-21-11-7-8-16(22-2)13(9-11)15(19)10-23-17(20)12-5-3-4-6-14(12)18/h3-9H,10H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate 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-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate is sourced from PubChem (CID 2096696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).