3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid

C16H14O4 — CID 170887239

IUPAC3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
SMILESCOc1ccc(-c2ccccc2C(=O)CC(=O)O)cc1
InChIInChI=1S/C16H14O4/c1-20-12-8-6-11(7-9-12)13-4-2-3-5-14(13)15(17)10-16(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyYCAXCCOWHLRUJG-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.02
Rot. Bonds5

About 3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid

3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid (PubChem CID 170887239) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
PubChem CID170887239
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
SMILESCOc1ccc(-c2ccccc2C(=O)CC(=O)O)cc1
InChIInChI=1S/C16H14O4/c1-20-12-8-6-11(7-9-12)13-4-2-3-5-14(13)15(17)10-16(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyYCAXCCOWHLRUJG-UHFFFAOYSA-N
XLogP3.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione
CID 70106493
3-[2-(2-carboxyacetyl)phenyl]-3-oxopropanoic acid
CID 141323218
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632
2,4-dioxo-4-(2-phenylphenyl)butanoic acid
CID 23623031
methyl 4-(2-propanoylphenyl)benzoate
CID 174354570
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-(4-methoxyphenyl)-N-methylaniline
CID 12555620
2,4-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 7978365
1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243
2-hydroxy-1-[2-[4-(methylamino)phenyl]phenyl]ethanone
CID 21043155
2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid
CID 54555837

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid?
The IUPAC name of 3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid (CID 170887239) is 3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid?
The canonical SMILES for 3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid is COc1ccc(-c2ccccc2C(=O)CC(=O)O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid?
The InChIKey is YCAXCCOWHLRUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-20-12-8-6-11(7-9-12)13-4-2-3-5-14(13)15(17)10-16(18)19/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid?
3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid is sourced from PubChem (CID 170887239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).