2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid

C17H17ClO3 — CID 63515238

IUPAC2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
SMILESCc1ccc(C(C)C)c(Oc2ccc(C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C17H17ClO3/c1-10(2)13-6-4-11(3)8-16(13)21-12-5-7-14(17(19)20)15(18)9-12/h4-10H,1-3H3,(H,19,20)
InChIKeyHMUKKUCNWZQYBQ-UHFFFAOYSA-N
MW304.77 g/mol
LogP5.26
Rot. Bonds4

About 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid

2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid (PubChem CID 63515238) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
PubChem CID63515238
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
SMILESCc1ccc(C(C)C)c(Oc2ccc(C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C17H17ClO3/c1-10(2)13-6-4-11(3)8-16(13)21-12-5-7-14(17(19)20)15(18)9-12/h4-10H,1-3H3,(H,19,20)
InChIKeyHMUKKUCNWZQYBQ-UHFFFAOYSA-N
XLogP5.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.77
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarbothioamide
CID 63518585
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218
2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid
CID 63514015
3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63943066
2-amino-5-(5-methyl-2-propan-2-ylphenoxy)benzamide
CID 61311722
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
2-bromo-4-(2-chloro-5-methylphenoxy)benzoic acid
CID 107282496
2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
CID 107282511
2-(3-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 62944909
3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 105379913
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid?
The IUPAC name of 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid (CID 63515238) is 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid.
What is the SMILES notation for 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid?
The canonical SMILES for 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid is Cc1ccc(C(C)C)c(Oc2ccc(C(=O)O)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid?
The InChIKey is HMUKKUCNWZQYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-10(2)13-6-4-11(3)8-16(13)21-12-5-7-14(17(19)20)15(18)9-12/h4-10H,1-3H3,(H,19,20).
What are the key properties of 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid?
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid has a molecular weight of 304.77 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid is sourced from PubChem (CID 63515238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).