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

C14H9Cl2FO2 — CID 172914048

IUPAC2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
SMILESCc1cc(-c2ccc(Cl)cc2Cl)c(C(=O)O)cc1F
InChIInChI=1S/C14H9Cl2FO2/c1-7-4-10(11(14(18)19)6-13(7)17)9-3-2-8(15)5-12(9)16/h2-6H,1H3,(H,18,19)
InChIKeyNUWPEBJCTSSPQN-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.81
Rot. Bonds2

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

2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid (PubChem CID 172914048) has the molecular formula C14H9Cl2FO2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
PubChem CID172914048
Molecular FormulaC14H9Cl2FO2
Molecular Weight299.13 g/mol
Exact Mass298.00
IUPAC Name2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
SMILESCc1cc(-c2ccc(Cl)cc2Cl)c(C(=O)O)cc1F
InChIInChI=1S/C14H9Cl2FO2/c1-7-4-10(11(14(18)19)6-13(7)17)9-3-2-8(15)5-12(9)16/h2-6H,1H3,(H,18,19)
InChIKeyNUWPEBJCTSSPQN-UHFFFAOYSA-N
XLogP4.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
3-chloro-4-(2-chloro-4-fluoro-5-methylphenyl)benzoic acid
CID 81308236
5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
CID 172914042
5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid
CID 172914061
4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid
CID 174558705
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid
CID 114103572
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103
4-amino-2-(2,4-dichlorophenyl)benzoic acid
CID 162623483
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid (CID 172914048) is 2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid is Cc1cc(-c2ccc(Cl)cc2Cl)c(C(=O)O)cc1F.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid?
The InChIKey is NUWPEBJCTSSPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO2/c1-7-4-10(11(14(18)19)6-13(7)17)9-3-2-8(15)5-12(9)16/h2-6H,1H3,(H,18,19).
What are the key properties of 2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid?
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid has a molecular weight of 299.13 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid is sourced from PubChem (CID 172914048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).