2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid

C15H10Cl2O4 — CID 138471085

IUPAC2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc(C(Cl)Cl)c1C(=O)O
InChIInChI=1S/C15H10Cl2O4/c16-13(17)11-7-3-6-9(12(11)15(20)21)8-4-1-2-5-10(8)14(18)19/h1-7,13H,(H,18,19)(H,20,21)
InChIKeyZWVYQLDBUFIFOF-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.23
Rot. Bonds4

About 2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid

2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid (PubChem CID 138471085) has the molecular formula C15H10Cl2O4 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid
PubChem CID138471085
Molecular FormulaC15H10Cl2O4
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc(C(Cl)Cl)c1C(=O)O
InChIInChI=1S/C15H10Cl2O4/c16-13(17)11-7-3-6-9(12(11)15(20)21)8-4-1-2-5-10(8)14(18)19/h1-7,13H,(H,18,19)(H,20,21)
InChIKeyZWVYQLDBUFIFOF-UHFFFAOYSA-N
XLogP4.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-amino-3-(dichloromethyl)benzoic acid
CID 19064080
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
3-phenylphthalic acid;dihydrobromide
CID 67683459
2-(2-propanoylphenyl)benzoic acid
CID 15194783
anthracene-9,10-dione;phthalic acid
CID 158904853
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-[2-[amino(benzenesulfonyl)methyl]phenyl]benzoic acid
CID 68970810

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid?
The IUPAC name of 2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid (CID 138471085) is 2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid.
What is the SMILES notation for 2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid?
The canonical SMILES for 2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid is O=C(O)c1ccccc1-c1cccc(C(Cl)Cl)c1C(=O)O.
What is the InChIKey of 2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid?
The InChIKey is ZWVYQLDBUFIFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O4/c16-13(17)11-7-3-6-9(12(11)15(20)21)8-4-1-2-5-10(8)14(18)19/h1-7,13H,(H,18,19)(H,20,21).
What are the key properties of 2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid?
2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid has a molecular weight of 325.15 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid is sourced from PubChem (CID 138471085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).