1-(4-hydroxyphenyl)penta-1,4-dien-3-one

C11H10O2 — CID 66749141

IUPAC1-(4-hydroxyphenyl)penta-1,4-dien-3-one
SMILESC=CC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C11H10O2/c1-2-10(12)6-3-9-4-7-11(13)8-5-9/h2-8,13H,1H2
InChIKeyLHFRLKJCWNABFP-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.16
Rot. Bonds3

About 1-(4-hydroxyphenyl)penta-1,4-dien-3-one

1-(4-hydroxyphenyl)penta-1,4-dien-3-one (PubChem CID 66749141) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)penta-1,4-dien-3-one
PubChem CID66749141
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name1-(4-hydroxyphenyl)penta-1,4-dien-3-one
SMILESC=CC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C11H10O2/c1-2-10(12)6-3-9-4-7-11(13)8-5-9/h2-8,13H,1H2
InChIKeyLHFRLKJCWNABFP-UHFFFAOYSA-N
XLogP2.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.16
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

1-bromo-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
CID 175380964
(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-one
CID 23464062
(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
4-(4-hydroxyphenyl)but-3-en-2-one
CID 159706417
3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 68584496
(1E,6E)-1-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551560
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381
4-[(1Z)-buta-1,3-dienyl]phenol
CID 45082834
1-(3-aminophenyl)penta-1,4-dien-3-one
CID 175255088
ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 159734710
7-phenylhepta-1,4,6-trien-3-one
CID 85345780

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)penta-1,4-dien-3-one?
The IUPAC name of 1-(4-hydroxyphenyl)penta-1,4-dien-3-one (CID 66749141) is 1-(4-hydroxyphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)penta-1,4-dien-3-one?
The canonical SMILES for 1-(4-hydroxyphenyl)penta-1,4-dien-3-one is C=CC(=O)C=Cc1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)penta-1,4-dien-3-one?
The InChIKey is LHFRLKJCWNABFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-2-10(12)6-3-9-4-7-11(13)8-5-9/h2-8,13H,1H2.
What are the key properties of 1-(4-hydroxyphenyl)penta-1,4-dien-3-one?
1-(4-hydroxyphenyl)penta-1,4-dien-3-one has a molecular weight of 174.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 66749141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).