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

C15H14O3 — CID 39346407

IUPAC2-[3-(2-methylphenyl)phenoxy]acetic acid
SMILESCc1ccccc1-c1cccc(OCC(=O)O)c1
InChIInChI=1S/C15H14O3/c1-11-5-2-3-8-14(11)12-6-4-7-13(9-12)18-10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeyBVEWBYLXKIAKRH-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.13
Rot. Bonds4

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

2-[3-(2-methylphenyl)phenoxy]acetic acid (PubChem CID 39346407) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)phenoxy]acetic acid
PubChem CID39346407
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-[3-(2-methylphenyl)phenoxy]acetic acid
SMILESCc1ccccc1-c1cccc(OCC(=O)O)c1
InChIInChI=1S/C15H14O3/c1-11-5-2-3-8-14(11)12-6-4-7-13(9-12)18-10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeyBVEWBYLXKIAKRH-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-fluorophenyl)phenoxy]acetic acid
CID 39349094
2-[3-(2-methylphenyl)phenoxy]propanoic acid
CID 82044805
1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene
CID 57485291
1-(4-chlorobutoxy)-3-(2-methylphenyl)benzene
CID 21281277
2-[3-[2-[1-(4-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]phenyl]phenoxy]acetic acid
CID 141234330
3-[3-(2,5-dimethylphenyl)phenoxy]propanoic acid
CID 39369428
1-iodo-3-(2-methylphenyl)benzene;propanoic acid
CID 69038282
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid
CID 168586784
chloromethane;2-phenoxyacetic acid
CID 157255542
2-[3-(5-ethoxycarbonyl-2H-triazol-4-yl)phenoxy]acetic acid
CID 169400608
2-phenoxyacetic acid;titanium
CID 174896747
2-[3-[2-(5-oxo-3,4-diphenyl-1,2,4-triazol-1-yl)phenyl]phenoxy]acetic acid
CID 12020854

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2-methylphenyl)phenoxy]acetic acid (CID 39346407) is 2-[3-(2-methylphenyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2-methylphenyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2-methylphenyl)phenoxy]acetic acid is Cc1ccccc1-c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-(2-methylphenyl)phenoxy]acetic acid?
The InChIKey is BVEWBYLXKIAKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-5-2-3-8-14(11)12-6-4-7-13(9-12)18-10-15(16)17/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-[3-(2-methylphenyl)phenoxy]acetic acid?
2-[3-(2-methylphenyl)phenoxy]acetic acid has a molecular weight of 242.27 g/mol, XLogP of 3.13, 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]acetic acid is sourced from PubChem (CID 39346407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).