2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one

C15H14O3 — CID 137391761

IUPAC2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one
SMILESC/C=C\C(=C/C)c1oc2ccccc2c(=O)c1O
InChIInChI=1S/C15H14O3/c1-3-7-10(4-2)15-14(17)13(16)11-8-5-6-9-12(11)18-15/h3-9,17H,1-2H3/b7-3-,10-4+
InChIKeyGWBVNBHDUMHEOK-UECXBSACSA-N
MW242.27 g/mol
LogP3.48
Rot. Bonds2

About 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one

2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one (PubChem CID 137391761) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one.

Molecular Properties

Compound Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one
PubChem CID137391761
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one
SMILESC/C=C\C(=C/C)c1oc2ccccc2c(=O)c1O
InChIInChI=1S/C15H14O3/c1-3-7-10(4-2)15-14(17)13(16)11-8-5-6-9-12(11)18-15/h3-9,17H,1-2H3/b7-3-,10-4+
InChIKeyGWBVNBHDUMHEOK-UECXBSACSA-N
XLogP3.48
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 735040
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3-methyl-4-oxochromene-2-carboxylic acid
CID 14958195
3-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienoyl]-4-hydroxychromen-2-one
CID 143019370
propane;xanthen-9-one
CID 90876458
2-(2-chlorophenyl)-3-hydroxychromen-4-one
CID 4915039
2,4-dibromo-1,3-dihydroxyxanthen-9-one
CID 139085816
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
3,4-dihydroxy-1,2-dimethylxanthen-9-one
CID 172645694
4-hydroxy-3-methylchromen-2-one
CID 54687016
2-bromo-7-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]xanthen-9-one
CID 87693704
2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
CID 66573994

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one?
The IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one (CID 137391761) is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one.
What is the SMILES notation for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one?
The canonical SMILES for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one is C/C=C\C(=C/C)c1oc2ccccc2c(=O)c1O.
What is the InChIKey of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one?
The InChIKey is GWBVNBHDUMHEOK-UECXBSACSA-N. The full InChI is InChI=1S/C15H14O3/c1-3-7-10(4-2)15-14(17)13(16)11-8-5-6-9-12(11)18-15/h3-9,17H,1-2H3/b7-3-,10-4+.
What are the key properties of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one?
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one has a molecular weight of 242.27 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxychromen-4-one is sourced from PubChem (CID 137391761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).