(4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one

C16H14O3 — CID 6377243

IUPAC(4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one
SMILESCOC1=CC(=O)C(O)=C/C1=C/C=C/c1ccccc1
InChIInChI=1S/C16H14O3/c1-19-16-11-15(18)14(17)10-13(16)9-5-8-12-6-3-2-4-7-12/h2-11,17H,1H3/b8-5+,13-9-
InChIKeyLUZUAYAKZLCOCQ-GKPGWJKISA-N
MW254.28 g/mol
LogP3.18
Rot. Bonds3

About (4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one

(4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one (PubChem CID 6377243) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one
PubChem CID6377243
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one
SMILESCOC1=CC(=O)C(O)=C/C1=C/C=C/c1ccccc1
InChIInChI=1S/C16H14O3/c1-19-16-11-15(18)14(17)10-13(16)9-5-8-12-6-3-2-4-7-12/h2-11,17H,1H3/b8-5+,13-9-
InChIKeyLUZUAYAKZLCOCQ-GKPGWJKISA-N
XLogP3.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of (4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one (CID 6377243) is (4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for (4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one is COC1=CC(=O)C(O)=C/C1=C/C=C/c1ccccc1.
What is the InChIKey of (4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is LUZUAYAKZLCOCQ-GKPGWJKISA-N. The full InChI is InChI=1S/C16H14O3/c1-19-16-11-15(18)14(17)10-13(16)9-5-8-12-6-3-2-4-7-12/h2-11,17H,1H3/b8-5+,13-9-.
What are the key properties of (4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one?
(4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 254.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 6377243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).