5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one

C20H15FO4 — CID 707760

IUPAC5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one
SMILESCCc1cc(=O)oc2cc3occ(-c4ccc(OC)c(F)c4)c3cc12
InChIInChI=1S/C20H15FO4/c1-3-11-7-20(22)25-19-9-18-14(8-13(11)19)15(10-24-18)12-4-5-17(23-2)16(21)6-12/h4-10H,3H2,1-2H3
InChIKeyANAXUOSCQHPKQQ-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.92
Rot. Bonds3

About 5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one

5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one (PubChem CID 707760) has the molecular formula C20H15FO4 and a molecular weight of 338.33 g/mol. Its IUPAC name is 5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one
PubChem CID707760
Molecular FormulaC20H15FO4
Molecular Weight338.33 g/mol
Exact Mass338.10
IUPAC Name5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one
SMILESCCc1cc(=O)oc2cc3occ(-c4ccc(OC)c(F)c4)c3cc12
InChIInChI=1S/C20H15FO4/c1-3-11-7-20(22)25-19-9-18-14(8-13(11)19)15(10-24-18)12-4-5-17(23-2)16(21)6-12/h4-10H,3H2,1-2H3
InChIKeyANAXUOSCQHPKQQ-UHFFFAOYSA-N
XLogP4.92
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one?
The IUPAC name of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one (CID 707760) is 5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one?
The canonical SMILES for 5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one is CCc1cc(=O)oc2cc3occ(-c4ccc(OC)c(F)c4)c3cc12.
What is the InChIKey of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one?
The InChIKey is ANAXUOSCQHPKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FO4/c1-3-11-7-20(22)25-19-9-18-14(8-13(11)19)15(10-24-18)12-4-5-17(23-2)16(21)6-12/h4-10H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one?
5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one has a molecular weight of 338.33 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-fluoro-4-methoxyphenyl)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 707760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).