2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid

C14H10Cl2O3 — CID 82045546

IUPAC2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid
SMILESCc1cc(O)cc(C(=O)O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2O3/c1-7-4-9(17)6-10(14(18)19)13(7)8-2-3-11(15)12(16)5-8/h2-6,17H,1H3,(H,18,19)
InChIKeyRNGUMKZMHCTGEF-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.37
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid

2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid (PubChem CID 82045546) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid
PubChem CID82045546
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid
SMILESCc1cc(O)cc(C(=O)O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2O3/c1-7-4-9(17)6-10(14(18)19)13(7)8-2-3-11(15)12(16)5-8/h2-6,17H,1H3,(H,18,19)
InChIKeyRNGUMKZMHCTGEF-UHFFFAOYSA-N
XLogP4.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(2,4,6-trimethylphenyl)benzoic acid
CID 54912541
2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid
CID 106882164
2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid
CID 53219128
2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 119004294
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156
4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
CID 16768707
5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol
CID 101299469
5-[1-(3-carboxy-4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-2-chlorobenzoic acid
CID 50884407
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
5-(3,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
CID 78943773

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid (CID 82045546) is 2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid is Cc1cc(O)cc(C(=O)O)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid?
The InChIKey is RNGUMKZMHCTGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c1-7-4-9(17)6-10(14(18)19)13(7)8-2-3-11(15)12(16)5-8/h2-6,17H,1H3,(H,18,19).
What are the key properties of 2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid?
2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid has a molecular weight of 297.14 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 82045546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).