(3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one

C14H14O2 — CID 144763250

IUPAC(3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one
SMILESC=C/C=C(\C=C)CC(=O)c1ccccc1O
InChIInChI=1S/C14H14O2/c1-3-7-11(4-2)10-14(16)12-8-5-6-9-13(12)15/h3-9,15H,1-2,10H2/b11-7+
InChIKeyBEKWXFNNPWYAEN-YRNVUSSQSA-N
MW214.26 g/mol
LogP3.26
Rot. Bonds5

About (3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one

(3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one (PubChem CID 144763250) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one.

Molecular Properties

Compound Name(3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one
PubChem CID144763250
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one
SMILESC=C/C=C(\C=C)CC(=O)c1ccccc1O
InChIInChI=1S/C14H14O2/c1-3-7-11(4-2)10-14(16)12-8-5-6-9-13(12)15/h3-9,15H,1-2,10H2/b11-7+
InChIKeyBEKWXFNNPWYAEN-YRNVUSSQSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyphenyl)but-3-en-1-one
CID 68794412
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CID 10354535
1-(2-hydroxyphenyl)pent-4-en-1-one
CID 15394978
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
1-(2-hydroxyphenyl)-3-[6-[3-(2-hydroxyphenyl)-3-oxopropanoyl]-2-pyridinyl]propane-1,3-dione
CID 102441165
(3E)-1-(2,4-dihydroxyphenyl)-3-methylhexa-3,5-dien-1-one
CID 143932136
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline
CID 142908128
(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide
CID 89001510
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
(3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one
CID 118239308
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one?
The IUPAC name of (3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one (CID 144763250) is (3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one.
What is the SMILES notation for (3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one?
The canonical SMILES for (3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one is C=C/C=C(\C=C)CC(=O)c1ccccc1O.
What is the InChIKey of (3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one?
The InChIKey is BEKWXFNNPWYAEN-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H14O2/c1-3-7-11(4-2)10-14(16)12-8-5-6-9-13(12)15/h3-9,15H,1-2,10H2/b11-7+.
What are the key properties of (3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one?
(3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one has a molecular weight of 214.26 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one is sourced from PubChem (CID 144763250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).