5-(2,4-dichlorophenyl)-2-methylbenzoic acid

C14H10Cl2O2 — CID 65307021

IUPAC5-(2,4-dichlorophenyl)-2-methylbenzoic acid
SMILESCc1ccc(-c2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C14H10Cl2O2/c1-8-2-3-9(6-12(8)14(17)18)11-5-4-10(15)7-13(11)16/h2-7H,1H3,(H,17,18)
InChIKeyZTJBAOOJDVRIID-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.67
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-2-methylbenzoic acid

5-(2,4-dichlorophenyl)-2-methylbenzoic acid (PubChem CID 65307021) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2-methylbenzoic acid
PubChem CID65307021
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name5-(2,4-dichlorophenyl)-2-methylbenzoic acid
SMILESCc1ccc(-c2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C14H10Cl2O2/c1-8-2-3-9(6-12(8)14(17)18)11-5-4-10(15)7-13(11)16/h2-7H,1H3,(H,17,18)
InChIKeyZTJBAOOJDVRIID-UHFFFAOYSA-N
XLogP4.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid
CID 113324877
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
2-methyl-5-(2,3,4-trifluorophenyl)benzoic acid
CID 65309587
2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 143150419
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
2-chloro-5-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405271
6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69070859
5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
CID 107515684

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2-methylbenzoic acid?
The IUPAC name of 5-(2,4-dichlorophenyl)-2-methylbenzoic acid (CID 65307021) is 5-(2,4-dichlorophenyl)-2-methylbenzoic acid.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2-methylbenzoic acid?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2-methylbenzoic acid is Cc1ccc(-c2ccc(Cl)cc2Cl)cc1C(=O)O.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2-methylbenzoic acid?
The InChIKey is ZTJBAOOJDVRIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-8-2-3-9(6-12(8)14(17)18)11-5-4-10(15)7-13(11)16/h2-7H,1H3,(H,17,18).
What are the key properties of 5-(2,4-dichlorophenyl)-2-methylbenzoic acid?
5-(2,4-dichlorophenyl)-2-methylbenzoic acid has a molecular weight of 281.14 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-2-methylbenzoic acid is sourced from PubChem (CID 65307021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).