(E)-4-(4-hydroxyphenyl)but-3-en-2-one

C10H10O2 — CID 796857

IUPAC(E)-4-(4-hydroxyphenyl)but-3-en-2-one
SMILESCC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
InChIKeyOCNIKEFATSKIBE-NSCUHMNNSA-N
MW162.19 g/mol
LogP1.99
Rot. Bonds2

About (E)-4-(4-hydroxyphenyl)but-3-en-2-one

(E)-4-(4-hydroxyphenyl)but-3-en-2-one (PubChem CID 796857) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (E)-4-(4-hydroxyphenyl)but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(4-hydroxyphenyl)but-3-en-2-one
PubChem CID796857
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(E)-4-(4-hydroxyphenyl)but-3-en-2-one
SMILESCC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
InChIKeyOCNIKEFATSKIBE-NSCUHMNNSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-(4-hydroxyphenyl)but-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-hydroxyphenyl)but-3-en-2-one?
The IUPAC name of (E)-4-(4-hydroxyphenyl)but-3-en-2-one (CID 796857) is (E)-4-(4-hydroxyphenyl)but-3-en-2-one.
What is the SMILES notation for (E)-4-(4-hydroxyphenyl)but-3-en-2-one?
The canonical SMILES for (E)-4-(4-hydroxyphenyl)but-3-en-2-one is CC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of (E)-4-(4-hydroxyphenyl)but-3-en-2-one?
The InChIKey is OCNIKEFATSKIBE-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+.
What are the key properties of (E)-4-(4-hydroxyphenyl)but-3-en-2-one?
(E)-4-(4-hydroxyphenyl)but-3-en-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-hydroxyphenyl)but-3-en-2-one is sourced from PubChem (CID 796857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).