2-[4-(4-methylphenyl)phenoxy]propanoic acid

C16H16O3 — CID 16769111

IUPAC2-[4-(4-methylphenyl)phenoxy]propanoic acid
SMILESCc1ccc(-c2ccc(OC(C)C(=O)O)cc2)cc1
InChIInChI=1S/C16H16O3/c1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)19-12(2)16(17)18/h3-10,12H,1-2H3,(H,17,18)
InChIKeyMJZVAMKNTIYIDK-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.51
Rot. Bonds4

About 2-[4-(4-methylphenyl)phenoxy]propanoic acid

2-[4-(4-methylphenyl)phenoxy]propanoic acid (PubChem CID 16769111) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)phenoxy]propanoic acid
PubChem CID16769111
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[4-(4-methylphenyl)phenoxy]propanoic acid
SMILESCc1ccc(-c2ccc(OC(C)C(=O)O)cc2)cc1
InChIInChI=1S/C16H16O3/c1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)19-12(2)16(17)18/h3-10,12H,1-2H3,(H,17,18)
InChIKeyMJZVAMKNTIYIDK-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

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Related Compounds

(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
2-[4-(4-iodophenyl)phenoxy]propanoic acid
CID 16773911
2-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568542
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
(2S)-2-(4-methylphenoxy)propanoate
CID 6988515
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-[4-(4-octoxyphenyl)phenoxy]propanoic acid
CID 71341870
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(4-methylphenyl)phenoxy]propanoic acid (CID 16769111) is 2-[4-(4-methylphenyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(4-methylphenyl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(4-methylphenyl)phenoxy]propanoic acid is Cc1ccc(-c2ccc(OC(C)C(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)phenoxy]propanoic acid?
The InChIKey is MJZVAMKNTIYIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)19-12(2)16(17)18/h3-10,12H,1-2H3,(H,17,18).
What are the key properties of 2-[4-(4-methylphenyl)phenoxy]propanoic acid?
2-[4-(4-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-[4-(4-methylphenyl)phenoxy]propanoic acid is sourced from PubChem (CID 16769111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).