2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid

C16H14O4 — CID 141025701

IUPAC2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid
SMILESO=CCC(C(=O)O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H14O4/c17-10-9-15(16(19)20)13-3-1-11(2-4-13)12-5-7-14(18)8-6-12/h1-8,10,15,18H,9H2,(H,19,20)
InChIKeyRUGZQTBWYOETNZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.82
Rot. Bonds5

About 2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid

2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid (PubChem CID 141025701) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid
PubChem CID141025701
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid
SMILESO=CCC(C(=O)O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H14O4/c17-10-9-15(16(19)20)13-3-1-11(2-4-13)12-5-7-14(18)8-6-12/h1-8,10,15,18H,9H2,(H,19,20)
InChIKeyRUGZQTBWYOETNZ-UHFFFAOYSA-N
XLogP2.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid?
The IUPAC name of 2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid (CID 141025701) is 2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid is O=CCC(C(=O)O)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid?
The InChIKey is RUGZQTBWYOETNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-10-9-15(16(19)20)13-3-1-11(2-4-13)12-5-7-14(18)8-6-12/h1-8,10,15,18H,9H2,(H,19,20).
What are the key properties of 2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid?
2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid has a molecular weight of 270.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid is sourced from PubChem (CID 141025701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).