2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid

C15H10Cl2O3 — CID 3039334

IUPAC2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2O3/c16-12-6-5-10(7-13(12)17)14(18)8-9-3-1-2-4-11(9)15(19)20/h1-7H,8H2,(H,19,20)
InChIKeyYCYHVZWPNDQZAM-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.12
Rot. Bonds4

About 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid

2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid (PubChem CID 3039334) has the molecular formula C15H10Cl2O3 and a molecular weight of 309.15 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid
PubChem CID3039334
Molecular FormulaC15H10Cl2O3
Molecular Weight309.15 g/mol
Exact Mass308.00
IUPAC Name2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2O3/c16-12-6-5-10(7-13(12)17)14(18)8-9-3-1-2-4-11(9)15(19)20/h1-7H,8H2,(H,19,20)
InChIKeyYCYHVZWPNDQZAM-UHFFFAOYSA-N
XLogP4.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid (CID 3039334) is 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid is O=C(Cc1ccccc1C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid?
The InChIKey is YCYHVZWPNDQZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O3/c16-12-6-5-10(7-13(12)17)14(18)8-9-3-1-2-4-11(9)15(19)20/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid?
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid has a molecular weight of 309.15 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 3039334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).