2-(3-ethoxyphenoxy)-4-methylbenzoic acid

C16H16O4 — CID 62702429

IUPAC2-(3-ethoxyphenoxy)-4-methylbenzoic acid
SMILESCCOc1cccc(Oc2cc(C)ccc2C(=O)O)c1
InChIInChI=1S/C16H16O4/c1-3-19-12-5-4-6-13(10-12)20-15-9-11(2)7-8-14(15)16(17)18/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyAMKMJXYYSOVORX-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.88
Rot. Bonds5

About 2-(3-ethoxyphenoxy)-4-methylbenzoic acid

2-(3-ethoxyphenoxy)-4-methylbenzoic acid (PubChem CID 62702429) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-4-methylbenzoic acid
PubChem CID62702429
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-(3-ethoxyphenoxy)-4-methylbenzoic acid
SMILESCCOc1cccc(Oc2cc(C)ccc2C(=O)O)c1
InChIInChI=1S/C16H16O4/c1-3-19-12-5-4-6-13(10-12)20-15-9-11(2)7-8-14(15)16(17)18/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyAMKMJXYYSOVORX-UHFFFAOYSA-N
XLogP3.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(3-ethoxyphenoxy)benzoic acid
CID 62335777
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
2-(3-ethylphenoxy)-4-methylbenzoic acid
CID 63513493
2-amino-3-(3-ethoxyphenoxy)benzoic acid
CID 115547246
5-amino-2-(3-ethoxyphenoxy)benzoic acid
CID 62338276
2-(3-ethoxyphenoxy)-4-methylaniline
CID 26189621
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
4-bromo-2-(3-methylphenoxy)benzoic acid
CID 43364853
4-fluoro-2-(3-methylphenoxy)benzoic acid
CID 22408591
2-(4-ethoxyphenoxy)terephthalic acid
CID 19865560
1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62338468
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-4-methylbenzoic acid?
The IUPAC name of 2-(3-ethoxyphenoxy)-4-methylbenzoic acid (CID 62702429) is 2-(3-ethoxyphenoxy)-4-methylbenzoic acid.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-4-methylbenzoic acid?
The canonical SMILES for 2-(3-ethoxyphenoxy)-4-methylbenzoic acid is CCOc1cccc(Oc2cc(C)ccc2C(=O)O)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-4-methylbenzoic acid?
The InChIKey is AMKMJXYYSOVORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-19-12-5-4-6-13(10-12)20-15-9-11(2)7-8-14(15)16(17)18/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-ethoxyphenoxy)-4-methylbenzoic acid?
2-(3-ethoxyphenoxy)-4-methylbenzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-4-methylbenzoic acid is sourced from PubChem (CID 62702429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).