1-(2-hydroxyphenyl)pent-4-en-1-one

C11H12O2 — CID 15394978

IUPAC1-(2-hydroxyphenyl)pent-4-en-1-one
SMILESC=CCCC(=O)c1ccccc1O
InChIInChI=1S/C11H12O2/c1-2-3-7-10(12)9-6-4-5-8-11(9)13/h2,4-6,8,13H,1,3,7H2
InChIKeyXZSXQERPMYCYAX-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-hydroxyphenyl)pent-4-en-1-one

1-(2-hydroxyphenyl)pent-4-en-1-one (PubChem CID 15394978) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)pent-4-en-1-one
PubChem CID15394978
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name1-(2-hydroxyphenyl)pent-4-en-1-one
SMILESC=CCCC(=O)c1ccccc1O
InChIInChI=1S/C11H12O2/c1-2-3-7-10(12)9-6-4-5-8-11(9)13/h2,4-6,8,13H,1,3,7H2
InChIKeyXZSXQERPMYCYAX-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
1-(2-hydroxyphenyl)but-3-en-1-one
CID 68794412
1-(2-bromo-3-fluorophenyl)pent-4-en-1-one
CID 114974946
1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one
CID 134961590
1-(2-phenylphenyl)hex-5-en-1-one
CID 69047929
1-(2-aminophenyl)oct-7-en-1-one
CID 107008243
(Z)-1-(2-hydroxyphenyl)octadec-9-en-1-one
CID 174651259
(3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one
CID 144763250
1-(2,4-dibromophenyl)pent-4-en-1-one
CID 107944518
1-(2-methoxyphenyl)hept-6-en-1-one
CID 159355856
1-(5-bromo-2-chlorophenyl)pent-4-en-1-one
CID 114974896
(2-hydroxyphenyl)-(2-prop-2-enylphenyl)methanone
CID 70545684

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)pent-4-en-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)pent-4-en-1-one (CID 15394978) is 1-(2-hydroxyphenyl)pent-4-en-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)pent-4-en-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)pent-4-en-1-one is C=CCCC(=O)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)pent-4-en-1-one?
The InChIKey is XZSXQERPMYCYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-3-7-10(12)9-6-4-5-8-11(9)13/h2,4-6,8,13H,1,3,7H2.
What are the key properties of 1-(2-hydroxyphenyl)pent-4-en-1-one?
1-(2-hydroxyphenyl)pent-4-en-1-one has a molecular weight of 176.21 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)pent-4-en-1-one is sourced from PubChem (CID 15394978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).