4-(2,3-dimethylphenoxy)benzoic acid

C15H14O3 — CID 20987074

IUPAC4-(2,3-dimethylphenoxy)benzoic acid
SMILESCc1cccc(Oc2ccc(C(=O)O)cc2)c1C
InChIInChI=1S/C15H14O3/c1-10-4-3-5-14(11(10)2)18-13-8-6-12(7-9-13)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyUUQZLGZGGWLWQM-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.79
Rot. Bonds3

About 4-(2,3-dimethylphenoxy)benzoic acid

4-(2,3-dimethylphenoxy)benzoic acid (PubChem CID 20987074) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)benzoic acid.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)benzoic acid
PubChem CID20987074
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-(2,3-dimethylphenoxy)benzoic acid
SMILESCc1cccc(Oc2ccc(C(=O)O)cc2)c1C
InChIInChI=1S/C15H14O3/c1-10-4-3-5-14(11(10)2)18-13-8-6-12(7-9-13)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyUUQZLGZGGWLWQM-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one
CID 114065883
4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188261
(E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20985536
[4-(2,3-dimethylphenoxy)phenyl]methanol
CID 28946045
3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841464
4-(2,5-dimethylphenoxy)benzoic acid
CID 22684928
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-(2,3-dimethylphenoxy)-N,N-dimethylaniline
CID 59069197
4-(2-methylphenoxy)benzoate
CID 7010211
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
4-(4-iodo-2-methylphenoxy)benzoic acid
CID 165024392
2-(4-chlorophenoxy)-6-methylbenzoic acid
CID 53418754

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)benzoic acid?
The IUPAC name of 4-(2,3-dimethylphenoxy)benzoic acid (CID 20987074) is 4-(2,3-dimethylphenoxy)benzoic acid.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)benzoic acid?
The canonical SMILES for 4-(2,3-dimethylphenoxy)benzoic acid is Cc1cccc(Oc2ccc(C(=O)O)cc2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)benzoic acid?
The InChIKey is UUQZLGZGGWLWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-4-3-5-14(11(10)2)18-13-8-6-12(7-9-13)15(16)17/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-(2,3-dimethylphenoxy)benzoic acid?
4-(2,3-dimethylphenoxy)benzoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)benzoic acid is sourced from PubChem (CID 20987074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).