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

C16H16O3 — CID 63513493

IUPAC2-(3-ethylphenoxy)-4-methylbenzoic acid
SMILESCCc1cccc(Oc2cc(C)ccc2C(=O)O)c1
InChIInChI=1S/C16H16O3/c1-3-12-5-4-6-13(10-12)19-15-9-11(2)7-8-14(15)16(17)18/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyVRSUKYZPYGPDJE-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.05
Rot. Bonds4

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

2-(3-ethylphenoxy)-4-methylbenzoic acid (PubChem CID 63513493) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-4-methylbenzoic acid
PubChem CID63513493
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(3-ethylphenoxy)-4-methylbenzoic acid
SMILESCCc1cccc(Oc2cc(C)ccc2C(=O)O)c1
InChIInChI=1S/C16H16O3/c1-3-12-5-4-6-13(10-12)19-15-9-11(2)7-8-14(15)16(17)18/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyVRSUKYZPYGPDJE-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
3-(3-ethylphenoxy)-2-nitrobenzoic acid
CID 115540994
4-bromo-2-(3-methylphenoxy)benzoic acid
CID 43364853
4-fluoro-2-(3-methylphenoxy)benzoic acid
CID 22408591
2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid
CID 107708690
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
2-(3-ethylphenoxy)benzoyl bromide
CID 139662785
2-ethyl-4-methylbenzoic acid
CID 19886963
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid
CID 63513502
4-(3-ethylphenoxy)-1-methylpyrazole-5-carboxylic acid
CID 171832438
4-methyl-2-pyrimidin-2-yloxybenzoic acid
CID 61395843

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-4-methylbenzoic acid?
The IUPAC name of 2-(3-ethylphenoxy)-4-methylbenzoic acid (CID 63513493) is 2-(3-ethylphenoxy)-4-methylbenzoic acid.
What is the SMILES notation for 2-(3-ethylphenoxy)-4-methylbenzoic acid?
The canonical SMILES for 2-(3-ethylphenoxy)-4-methylbenzoic acid is CCc1cccc(Oc2cc(C)ccc2C(=O)O)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-4-methylbenzoic acid?
The InChIKey is VRSUKYZPYGPDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-3-12-5-4-6-13(10-12)19-15-9-11(2)7-8-14(15)16(17)18/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-ethylphenoxy)-4-methylbenzoic acid?
2-(3-ethylphenoxy)-4-methylbenzoic acid has a molecular weight of 256.30 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-4-methylbenzoic acid is sourced from PubChem (CID 63513493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).