2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid

C16H15ClO3 — CID 63514015

IUPAC2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid
SMILESCc1cc(C)c(C)c(Oc2ccc(C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C16H15ClO3/c1-9-6-10(2)11(3)15(7-9)20-12-4-5-13(16(18)19)14(17)8-12/h4-8H,1-3H3,(H,18,19)
InChIKeyWJOZKVJRNHNYEJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.76
Rot. Bonds3

About 2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid

2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid (PubChem CID 63514015) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid
PubChem CID63514015
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid
SMILESCc1cc(C)c(C)c(Oc2ccc(C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C16H15ClO3/c1-9-6-10(2)11(3)15(7-9)20-12-4-5-13(16(18)19)14(17)8-12/h4-8H,1-3H3,(H,18,19)
InChIKeyWJOZKVJRNHNYEJ-UHFFFAOYSA-N
XLogP4.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63515238
5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid
CID 63459993
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
4-(4-bromo-3,5-dimethylphenoxy)-2-chlorobenzoic acid
CID 107726797
2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
CID 107171000
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
CID 107282511
2-bromo-4-(2-chloro-5-methylphenoxy)benzoic acid
CID 107282496
2-(3-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 62944909
4-(4-tert-butylphenoxy)-2-chlorobenzoic acid
CID 63512968
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
1-[3-chloro-4-(2,3,5-trimethylphenoxy)phenyl]ethanone
CID 63533846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid?
The IUPAC name of 2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid (CID 63514015) is 2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid.
What is the SMILES notation for 2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid?
The canonical SMILES for 2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid is Cc1cc(C)c(C)c(Oc2ccc(C(=O)O)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid?
The InChIKey is WJOZKVJRNHNYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-9-6-10(2)11(3)15(7-9)20-12-4-5-13(16(18)19)14(17)8-12/h4-8H,1-3H3,(H,18,19).
What are the key properties of 2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid?
2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid has a molecular weight of 290.75 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid is sourced from PubChem (CID 63514015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).