2-(3,5-dichloro-4-methylbenzoyl)benzoic acid

C15H10Cl2O3 — CID 3024180

IUPAC2-(3,5-dichloro-4-methylbenzoyl)benzoic acid
SMILESCc1c(Cl)cc(C(=O)c2ccccc2C(=O)O)cc1Cl
InChIInChI=1S/C15H10Cl2O3/c1-8-12(16)6-9(7-13(8)17)14(18)10-4-2-3-5-11(10)15(19)20/h2-7H,1H3,(H,19,20)
InChIKeyCICYUDLNBKQJQA-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.23
Rot. Bonds3

About 2-(3,5-dichloro-4-methylbenzoyl)benzoic acid

2-(3,5-dichloro-4-methylbenzoyl)benzoic acid (PubChem CID 3024180) has the molecular formula C15H10Cl2O3 and a molecular weight of 309.15 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-methylbenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(3,5-dichloro-4-methylbenzoyl)benzoic acid
PubChem CID3024180
Molecular FormulaC15H10Cl2O3
Molecular Weight309.15 g/mol
Exact Mass308.00
IUPAC Name2-(3,5-dichloro-4-methylbenzoyl)benzoic acid
SMILESCc1c(Cl)cc(C(=O)c2ccccc2C(=O)O)cc1Cl
InChIInChI=1S/C15H10Cl2O3/c1-8-12(16)6-9(7-13(8)17)14(18)10-4-2-3-5-11(10)15(19)20/h2-7H,1H3,(H,19,20)
InChIKeyCICYUDLNBKQJQA-UHFFFAOYSA-N
XLogP4.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-methylbenzoyl)benzoic acid?
The IUPAC name of 2-(3,5-dichloro-4-methylbenzoyl)benzoic acid (CID 3024180) is 2-(3,5-dichloro-4-methylbenzoyl)benzoic acid.
What is the SMILES notation for 2-(3,5-dichloro-4-methylbenzoyl)benzoic acid?
The canonical SMILES for 2-(3,5-dichloro-4-methylbenzoyl)benzoic acid is Cc1c(Cl)cc(C(=O)c2ccccc2C(=O)O)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-methylbenzoyl)benzoic acid?
The InChIKey is CICYUDLNBKQJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O3/c1-8-12(16)6-9(7-13(8)17)14(18)10-4-2-3-5-11(10)15(19)20/h2-7H,1H3,(H,19,20).
What are the key properties of 2-(3,5-dichloro-4-methylbenzoyl)benzoic acid?
2-(3,5-dichloro-4-methylbenzoyl)benzoic acid has a molecular weight of 309.15 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-methylbenzoyl)benzoic acid is sourced from PubChem (CID 3024180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).