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

C16H16O3 — CID 131881242

IUPAC4-[(2,4-dimethylphenyl)methoxy]benzoic acid
SMILESCc1ccc(COc2ccc(C(=O)O)cc2)c(C)c1
InChIInChI=1S/C16H16O3/c1-11-3-4-14(12(2)9-11)10-19-15-7-5-13(6-8-15)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyTZYFOIBCPQUESF-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.58
Rot. Bonds4

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

4-[(2,4-dimethylphenyl)methoxy]benzoic acid (PubChem CID 131881242) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)methoxy]benzoic acid
PubChem CID131881242
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4-[(2,4-dimethylphenyl)methoxy]benzoic acid
SMILESCc1ccc(COc2ccc(C(=O)O)cc2)c(C)c1
InChIInChI=1S/C16H16O3/c1-11-3-4-14(12(2)9-11)10-19-15-7-5-13(6-8-15)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyTZYFOIBCPQUESF-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid
CID 114485685
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
4-[(2,4-dimethylphenyl)methyl]benzoic acid
CID 116927178
4-[(2,4-dimethylphenyl)methoxy]aniline
CID 12822803
4-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22681502
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol
CID 123661377
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
4-[[3-(hydroxymethyl)phenoxy]methyl]-3-methylbenzoic acid
CID 114485771
3-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117219656

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)methoxy]benzoic acid?
The IUPAC name of 4-[(2,4-dimethylphenyl)methoxy]benzoic acid (CID 131881242) is 4-[(2,4-dimethylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)methoxy]benzoic acid?
The canonical SMILES for 4-[(2,4-dimethylphenyl)methoxy]benzoic acid is Cc1ccc(COc2ccc(C(=O)O)cc2)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)methoxy]benzoic acid?
The InChIKey is TZYFOIBCPQUESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-3-4-14(12(2)9-11)10-19-15-7-5-13(6-8-15)16(17)18/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2,4-dimethylphenyl)methoxy]benzoic acid?
4-[(2,4-dimethylphenyl)methoxy]benzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 131881242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).