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

C10H10O2 — CID 5356585

IUPAC(E)-4-(2-hydroxyphenyl)but-3-en-2-one
SMILESCC(=O)/C=C/c1ccccc1O
InChIInChI=1S/C10H10O2/c1-8(11)6-7-9-4-2-3-5-10(9)12/h2-7,12H,1H3/b7-6+
InChIKeyOIKUPYQBJLSNAS-VOTSOKGWSA-N
MW162.19 g/mol
LogP1.99
Rot. Bonds2

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

(E)-4-(2-hydroxyphenyl)but-3-en-2-one (PubChem CID 5356585) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (E)-4-(2-hydroxyphenyl)but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(2-hydroxyphenyl)but-3-en-2-one
PubChem CID5356585
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(E)-4-(2-hydroxyphenyl)but-3-en-2-one
SMILESCC(=O)/C=C/c1ccccc1O
InChIInChI=1S/C10H10O2/c1-8(11)6-7-9-4-2-3-5-10(9)12/h2-7,12H,1H3/b7-6+
InChIKeyOIKUPYQBJLSNAS-VOTSOKGWSA-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'}

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Related Compounds

ethane;4-[2-(3-oxobut-1-enyl)phenyl]but-3-en-2-one
CID 91253043
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
CID 154111061
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 15150197
6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
CID 91017486
(E)-3-[2-[(E)-3-oxobut-1-enyl]phenyl]prop-2-enal
CID 101375200
N-[2-[(E)-3-oxobut-1-enyl]phenyl]acetamide
CID 10878239
(E)-4-(2-benzoylphenyl)but-3-en-2-one
CID 135039520
(E)-4-(3-bromo-2-hydroxyphenyl)but-3-en-2-one
CID 147171845
(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid
CID 102322322

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-hydroxyphenyl)but-3-en-2-one?
The IUPAC name of (E)-4-(2-hydroxyphenyl)but-3-en-2-one (CID 5356585) is (E)-4-(2-hydroxyphenyl)but-3-en-2-one.
What is the SMILES notation for (E)-4-(2-hydroxyphenyl)but-3-en-2-one?
The canonical SMILES for (E)-4-(2-hydroxyphenyl)but-3-en-2-one is CC(=O)/C=C/c1ccccc1O.
What is the InChIKey of (E)-4-(2-hydroxyphenyl)but-3-en-2-one?
The InChIKey is OIKUPYQBJLSNAS-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10O2/c1-8(11)6-7-9-4-2-3-5-10(9)12/h2-7,12H,1H3/b7-6+.
What are the key properties of (E)-4-(2-hydroxyphenyl)but-3-en-2-one?
(E)-4-(2-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-(2-hydroxyphenyl)but-3-en-2-one is sourced from PubChem (CID 5356585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).