4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid

C16H15ClO3 — CID 63463866

IUPAC4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
SMILESCc1cc(C)cc(COc2cc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C16H15ClO3/c1-10-5-11(2)7-12(6-10)9-20-15-8-13(17)3-4-14(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLUNKRLKGBLBVNQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.23
Rot. Bonds4

About 4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid

4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid (PubChem CID 63463866) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
PubChem CID63463866
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
SMILESCc1cc(C)cc(COc2cc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C16H15ClO3/c1-10-5-11(2)7-12(6-10)9-20-15-8-13(17)3-4-14(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLUNKRLKGBLBVNQ-UHFFFAOYSA-N
XLogP4.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[(3,5-dimethylphenyl)methoxy]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

1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene
CID 78906184
2-[(3-bromo-4-methoxyphenyl)methoxy]-4-chlorobenzoic acid
CID 45286799
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
4-chloro-2-[(4-nitrophenyl)methoxy]benzoic acid
CID 45418753
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid
CID 61223691
[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 54910865
4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid
CID 60673887
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339281
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
CID 60911444
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid?
The IUPAC name of 4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid (CID 63463866) is 4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid?
The canonical SMILES for 4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid is Cc1cc(C)cc(COc2cc(Cl)ccc2C(=O)O)c1.
What is the InChIKey of 4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid?
The InChIKey is LUNKRLKGBLBVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-10-5-11(2)7-12(6-10)9-20-15-8-13(17)3-4-14(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid?
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid has a molecular weight of 290.75 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 63463866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).