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

C20H20O4 — CID 159706417

IUPAC4-(4-hydroxyphenyl)but-3-en-2-one
SMILESCC(=O)C=Cc1ccc(O)cc1.CC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/2C10H10O2/c2*1-8(11)2-3-9-4-6-10(12)7-5-9/h2*2-7,12H,1H3
InChIKeyMYGRTOISTYYXRI-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.99
Rot. Bonds4

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

4-(4-hydroxyphenyl)but-3-en-2-one (PubChem CID 159706417) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)but-3-en-2-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)but-3-en-2-one
PubChem CID159706417
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name4-(4-hydroxyphenyl)but-3-en-2-one
SMILESCC(=O)C=Cc1ccc(O)cc1.CC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/2C10H10O2/c2*1-8(11)2-3-9-4-6-10(12)7-5-9/h2*2-7,12H,1H3
InChIKeyMYGRTOISTYYXRI-UHFFFAOYSA-N
XLogP3.99
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
tris(3-(4-hydroxyphenyl)prop-2-enoic acid);lanthanum
CID 153328544
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
4-(4-methylsulfanylphenyl)but-3-en-2-one
CID 54442603
ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 159734710
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
4-(4-methylsulfinylphenyl)but-3-en-2-one
CID 71324166
(E)-4-[4-(2-oxopropyl)phenyl]but-3-en-2-one
CID 130348603
3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 68584496
1-(4-hydroxyphenyl)penta-1,4-dien-3-one
CID 66749141
(E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 89091935
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)but-3-en-2-one?
The IUPAC name of 4-(4-hydroxyphenyl)but-3-en-2-one (CID 159706417) is 4-(4-hydroxyphenyl)but-3-en-2-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)but-3-en-2-one?
The canonical SMILES for 4-(4-hydroxyphenyl)but-3-en-2-one is CC(=O)C=Cc1ccc(O)cc1.CC(=O)C=Cc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)but-3-en-2-one?
The InChIKey is MYGRTOISTYYXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10O2/c2*1-8(11)2-3-9-4-6-10(12)7-5-9/h2*2-7,12H,1H3.
What are the key properties of 4-(4-hydroxyphenyl)but-3-en-2-one?
4-(4-hydroxyphenyl)but-3-en-2-one has a molecular weight of 324.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)but-3-en-2-one is sourced from PubChem (CID 159706417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).