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

C16H15ClO3 — CID 115955919

IUPAC3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
SMILESCc1ccc(C)c(COc2c(Cl)cccc2C(=O)O)c1
InChIInChI=1S/C16H15ClO3/c1-10-6-7-11(2)12(8-10)9-20-15-13(16(18)19)4-3-5-14(15)17/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyKXNKRQXRMBDJFQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.23
Rot. Bonds4

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

3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid (PubChem CID 115955919) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
PubChem CID115955919
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
SMILESCc1ccc(C)c(COc2c(Cl)cccc2C(=O)O)c1
InChIInChI=1S/C16H15ClO3/c1-10-6-7-11(2)12(8-10)9-20-15-13(16(18)19)4-3-5-14(15)17/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyKXNKRQXRMBDJFQ-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

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Related Compounds

3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
CID 112612027
3-chloro-2-[(4-cyano-2-methylphenyl)methoxy]benzoic acid
CID 114482412
1-(bromomethyl)-3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzene
CID 112613816
1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092575
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 115957754
2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
CID 105369808
2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102855411
2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
CID 115955941
3-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102666745

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid?
The IUPAC name of 3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid (CID 115955919) is 3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid?
The canonical SMILES for 3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid is Cc1ccc(C)c(COc2c(Cl)cccc2C(=O)O)c1.
What is the InChIKey of 3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid?
The InChIKey is KXNKRQXRMBDJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-10-6-7-11(2)12(8-10)9-20-15-13(16(18)19)4-3-5-14(15)17/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid?
3-chloro-2-[(2,5-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 3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 115955919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).