2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one

C26H21FO5 — CID 175142879

IUPAC2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one
SMILESCOc1ccc(C=Cc2cc(OC)cc(OC)c2-c2cc(=O)c3ccc(F)cc3o2)cc1
InChIInChI=1S/C26H21FO5/c1-29-19-9-5-16(6-10-19)4-7-17-12-20(30-2)14-24(31-3)26(17)25-15-22(28)21-11-8-18(27)13-23(21)32-25/h4-15H,1-3H3
InChIKeyQUUKXPOJDXFDOD-UHFFFAOYSA-N
MW432.45 g/mol
LogP5.80
Rot. Bonds6

About 2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one

2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one (PubChem CID 175142879) has the molecular formula C26H21FO5 and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one.

Molecular Properties

Compound Name2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one
PubChem CID175142879
Molecular FormulaC26H21FO5
Molecular Weight432.45 g/mol
Exact Mass432.14
IUPAC Name2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one
SMILESCOc1ccc(C=Cc2cc(OC)cc(OC)c2-c2cc(=O)c3ccc(F)cc3o2)cc1
InChIInChI=1S/C26H21FO5/c1-29-19-9-5-16(6-10-19)4-7-17-12-20(30-2)14-24(31-3)26(17)25-15-22(28)21-11-8-18(27)13-23(21)32-25/h4-15H,1-3H3
InChIKeyQUUKXPOJDXFDOD-UHFFFAOYSA-N
XLogP5.80
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one?
The IUPAC name of 2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one (CID 175142879) is 2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one.
What is the SMILES notation for 2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one?
The canonical SMILES for 2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one is COc1ccc(C=Cc2cc(OC)cc(OC)c2-c2cc(=O)c3ccc(F)cc3o2)cc1.
What is the InChIKey of 2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one?
The InChIKey is QUUKXPOJDXFDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FO5/c1-29-19-9-5-16(6-10-19)4-7-17-12-20(30-2)14-24(31-3)26(17)25-15-22(28)21-11-8-18(27)13-23(21)32-25/h4-15H,1-3H3.
What are the key properties of 2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one?
2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one has a molecular weight of 432.45 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-7-fluorochromen-4-one is sourced from PubChem (CID 175142879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).