(E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid

C16H14O3 — CID 21437915

IUPAC(E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid
SMILESO=C(O)/C=C/C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,15,17H,(H,18,19)/b11-10+
InChIKeyTYLDGEVEWDNUTE-ZHACJKMWSA-N
MW254.29 g/mol
LogP3.03
Rot. Bonds4

About (E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid

(E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid (PubChem CID 21437915) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid
PubChem CID21437915
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid
SMILESO=C(O)/C=C/C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,15,17H,(H,18,19)/b11-10+
InChIKeyTYLDGEVEWDNUTE-ZHACJKMWSA-N
XLogP3.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid?
The IUPAC name of (E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid (CID 21437915) is (E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid.
What is the SMILES notation for (E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid?
The canonical SMILES for (E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid is O=C(O)/C=C/C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid?
The InChIKey is TYLDGEVEWDNUTE-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,15,17H,(H,18,19)/b11-10+.
What are the key properties of (E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid?
(E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid has a molecular weight of 254.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-4-(4-phenylphenyl)but-2-enoic acid is sourced from PubChem (CID 21437915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).