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

C10H10O2 — CID 15090741

IUPAC3-(2-hydroxyphenyl)but-3-en-2-one
SMILESC=C(C(C)=O)c1ccccc1O
InChIInChI=1S/C10H10O2/c1-7(8(2)11)9-5-3-4-6-10(9)12/h3-6,12H,1H2,2H3
InChIKeySSHAKSZQYQLUFH-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.99
Rot. Bonds2

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

3-(2-hydroxyphenyl)but-3-en-2-one (PubChem CID 15090741) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)but-3-en-2-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)but-3-en-2-one
PubChem CID15090741
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-(2-hydroxyphenyl)but-3-en-2-one
SMILESC=C(C(C)=O)c1ccccc1O
InChIInChI=1S/C10H10O2/c1-7(8(2)11)9-5-3-4-6-10(9)12/h3-6,12H,1H2,2H3
InChIKeySSHAKSZQYQLUFH-UHFFFAOYSA-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

CID 100981568
CID 100981568
cerium;1-(2-hydroxyphenyl)ethanone
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bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
CID 15261544
sodium;2-hydroxybenzoic acid;acetate
CID 174935764
1,1-dichloroethene;2-hydroxybenzamide
CID 174296384
3-methylbuta-1,3-dienyl 2-hydroxybenzoate
CID 141031106
3-[4-chloro-5-[4-(2-hydroxyphenyl)phenyl]-2-methylphenyl]but-3-en-2-one
CID 144760627
CID 87183669
CID 87183669
2-hydroxybenzoic acid;silver
CID 87326670
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CID 172742301

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)but-3-en-2-one?
The IUPAC name of 3-(2-hydroxyphenyl)but-3-en-2-one (CID 15090741) is 3-(2-hydroxyphenyl)but-3-en-2-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)but-3-en-2-one?
The canonical SMILES for 3-(2-hydroxyphenyl)but-3-en-2-one is C=C(C(C)=O)c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)but-3-en-2-one?
The InChIKey is SSHAKSZQYQLUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7(8(2)11)9-5-3-4-6-10(9)12/h3-6,12H,1H2,2H3.
What are the key properties of 3-(2-hydroxyphenyl)but-3-en-2-one?
3-(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 3-(2-hydroxyphenyl)but-3-en-2-one is sourced from PubChem (CID 15090741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).