4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid

C15H10Cl2O4 — CID 174558705

IUPAC4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid
SMILESCc1c(C(=O)O)ccc(-c2ccc(Cl)cc2Cl)c1C(=O)O
InChIInChI=1S/C15H10Cl2O4/c1-7-9(14(18)19)4-5-11(13(7)15(20)21)10-3-2-8(16)6-12(10)17/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyPHKSOOOOUSVNPQ-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.37
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid

4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid (PubChem CID 174558705) has the molecular formula C15H10Cl2O4 and a molecular weight of 325.15 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid
PubChem CID174558705
Molecular FormulaC15H10Cl2O4
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid
SMILESCc1c(C(=O)O)ccc(-c2ccc(Cl)cc2Cl)c1C(=O)O
InChIInChI=1S/C15H10Cl2O4/c1-7-9(14(18)19)4-5-11(13(7)15(20)21)10-3-2-8(16)6-12(10)17/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyPHKSOOOOUSVNPQ-UHFFFAOYSA-N
XLogP4.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
4-amino-2-(2,4-dichlorophenyl)benzoic acid
CID 162623483
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
2-methyl-4-phenylbenzene-1,3-dicarboxylic acid;propan-2-one
CID 157214158
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
2-acetyl-5-chlorobenzoic acid
CID 11229391
4-chloro-2-methylbenzoic acid;ethane
CID 145482472
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid (CID 174558705) is 4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid is Cc1c(C(=O)O)ccc(-c2ccc(Cl)cc2Cl)c1C(=O)O.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is PHKSOOOOUSVNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O4/c1-7-9(14(18)19)4-5-11(13(7)15(20)21)10-3-2-8(16)6-12(10)17/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid?
4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 325.15 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 174558705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).