2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one

C15H14O3 — CID 142130778

IUPAC2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one
SMILESC/C=C\C(=C(/C)O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H14O3/c1-3-6-11(10(2)16)15-9-13(17)12-7-4-5-8-14(12)18-15/h3-9,16H,1-2H3/b6-3-,11-10-
InChIKeyXKOUJWZHSCIUOD-XXNLUHFVSA-N
MW242.27 g/mol
LogP3.66
Rot. Bonds2

About 2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one

2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one (PubChem CID 142130778) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one.

Molecular Properties

Compound Name2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one
PubChem CID142130778
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one
SMILESC/C=C\C(=C(/C)O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H14O3/c1-3-6-11(10(2)16)15-9-13(17)12-7-4-5-8-14(12)18-15/h3-9,16H,1-2H3/b6-3-,11-10-
InChIKeyXKOUJWZHSCIUOD-XXNLUHFVSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 159796273
CID 159796273

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one?
The IUPAC name of 2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one (CID 142130778) is 2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one.
What is the SMILES notation for 2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one?
The canonical SMILES for 2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one is C/C=C\C(=C(/C)O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one?
The InChIKey is XKOUJWZHSCIUOD-XXNLUHFVSA-N. The full InChI is InChI=1S/C15H14O3/c1-3-6-11(10(2)16)15-9-13(17)12-7-4-5-8-14(12)18-15/h3-9,16H,1-2H3/b6-3-,11-10-.
What are the key properties of 2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one?
2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one has a molecular weight of 242.27 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4Z)-2-hydroxyhexa-2,4-dien-3-yl]chromen-4-one is sourced from PubChem (CID 142130778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).