7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one

C16H16O4 — CID 146292918

IUPAC7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one
SMILESC/C(O)=C\C/C=C(\C)c1coc2cc(O)ccc2c1=O
InChIInChI=1S/C16H16O4/c1-10(4-3-5-11(2)17)14-9-20-15-8-12(18)6-7-13(15)16(14)19/h4-9,17-18H,3H2,1-2H3/b10-4+,11-5+
InChIKeyOOPXFBMPEDCOSV-ZVSIBQGLSA-N
MW272.30 g/mol
LogP3.75
Rot. Bonds3

About 7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one

7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one (PubChem CID 146292918) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one
PubChem CID146292918
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one
SMILESC/C(O)=C\C/C=C(\C)c1coc2cc(O)ccc2c1=O
InChIInChI=1S/C16H16O4/c1-10(4-3-5-11(2)17)14-9-20-15-8-12(18)6-7-13(15)16(14)19/h4-9,17-18H,3H2,1-2H3/b10-4+,11-5+
InChIKeyOOPXFBMPEDCOSV-ZVSIBQGLSA-N
XLogP3.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one?
The IUPAC name of 7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one (CID 146292918) is 7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one?
The canonical SMILES for 7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one is C/C(O)=C\C/C=C(\C)c1coc2cc(O)ccc2c1=O.
What is the InChIKey of 7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one?
The InChIKey is OOPXFBMPEDCOSV-ZVSIBQGLSA-N. The full InChI is InChI=1S/C16H16O4/c1-10(4-3-5-11(2)17)14-9-20-15-8-12(18)6-7-13(15)16(14)19/h4-9,17-18H,3H2,1-2H3/b10-4+,11-5+.
What are the key properties of 7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one?
7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one has a molecular weight of 272.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[(2E,5E)-6-hydroxyhepta-2,5-dien-2-yl]chromen-4-one is sourced from PubChem (CID 146292918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).