2-[3-(2-methylphenyl)phenoxy]propanoic acid

C16H16O3 — CID 82044805

IUPAC2-[3-(2-methylphenyl)phenoxy]propanoic acid
SMILESCc1ccccc1-c1cccc(OC(C)C(=O)O)c1
InChIInChI=1S/C16H16O3/c1-11-6-3-4-9-15(11)13-7-5-8-14(10-13)19-12(2)16(17)18/h3-10,12H,1-2H3,(H,17,18)
InChIKeyUTOBJWQWHDQDFP-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.51
Rot. Bonds4

About 2-[3-(2-methylphenyl)phenoxy]propanoic acid

2-[3-(2-methylphenyl)phenoxy]propanoic acid (PubChem CID 82044805) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)phenoxy]propanoic acid
PubChem CID82044805
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[3-(2-methylphenyl)phenoxy]propanoic acid
SMILESCc1ccccc1-c1cccc(OC(C)C(=O)O)c1
InChIInChI=1S/C16H16O3/c1-11-6-3-4-9-15(11)13-7-5-8-14(10-13)19-12(2)16(17)18/h3-10,12H,1-2H3,(H,17,18)
InChIKeyUTOBJWQWHDQDFP-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2-methylphenyl)phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-fluorophenyl)phenoxy]propanoic acid
CID 82044896
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407
2-[3-(3-fluorophenyl)phenoxy]propanoic acid
CID 82044897
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
(2R)-2-[3-(2-chlorophenyl)phenoxy]propanamide
CID 95205129
1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene
CID 57485291
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634
(2R)-2-(3-formylphenoxy)propanoic acid
CID 907308
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)phenoxy]propanoic acid?
The IUPAC name of 2-[3-(2-methylphenyl)phenoxy]propanoic acid (CID 82044805) is 2-[3-(2-methylphenyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[3-(2-methylphenyl)phenoxy]propanoic acid?
The canonical SMILES for 2-[3-(2-methylphenyl)phenoxy]propanoic acid is Cc1ccccc1-c1cccc(OC(C)C(=O)O)c1.
What is the InChIKey of 2-[3-(2-methylphenyl)phenoxy]propanoic acid?
The InChIKey is UTOBJWQWHDQDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-6-3-4-9-15(11)13-7-5-8-14(10-13)19-12(2)16(17)18/h3-10,12H,1-2H3,(H,17,18).
What are the key properties of 2-[3-(2-methylphenyl)phenoxy]propanoic acid?
2-[3-(2-methylphenyl)phenoxy]propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)phenoxy]propanoic acid is sourced from PubChem (CID 82044805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).