7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one

C19H22O4 — CID 14376449

IUPAC7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
SMILESCC(C)=CC(O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H22O4/c1-13(2)10-16(20)11-14(3)8-9-22-17-6-4-15-5-7-19(21)23-18(15)12-17/h4-8,10,12,16,20H,9,11H2,1-3H3/b14-8+
InChIKeyVNADFOGBKXRWGC-RIYZIHGNSA-N
MW314.38 g/mol
LogP3.84
Rot. Bonds6

About 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one

7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one (PubChem CID 14376449) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one.

Molecular Properties

Compound Name7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
PubChem CID14376449
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
SMILESCC(C)=CC(O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H22O4/c1-13(2)10-16(20)11-14(3)8-9-22-17-6-4-15-5-7-19(21)23-18(15)12-17/h4-8,10,12,16,20H,9,11H2,1-3H3/b14-8+
InChIKeyVNADFOGBKXRWGC-RIYZIHGNSA-N
XLogP3.84
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one?
The IUPAC name of 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one (CID 14376449) is 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one.
What is the SMILES notation for 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one?
The canonical SMILES for 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one is CC(C)=CC(O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one?
The InChIKey is VNADFOGBKXRWGC-RIYZIHGNSA-N. The full InChI is InChI=1S/C19H22O4/c1-13(2)10-16(20)11-14(3)8-9-22-17-6-4-15-5-7-19(21)23-18(15)12-17/h4-8,10,12,16,20H,9,11H2,1-3H3/b14-8+.
What are the key properties of 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one?
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one has a molecular weight of 314.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one is sourced from PubChem (CID 14376449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).