3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one

C21H16O3 — CID 122537743

IUPAC3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one
SMILESCc1c2oc(=O)cc(-c3ccccc3)c2cc2c(C3CC3)coc12
InChIInChI=1S/C21H16O3/c1-12-20-17(18(11-23-20)14-7-8-14)9-16-15(10-19(22)24-21(12)16)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8H2,1H3
InChIKeyUHGILRFBFXDLOV-UHFFFAOYSA-N
MW316.36 g/mol
LogP5.39
Rot. Bonds2

About 3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one

3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one (PubChem CID 122537743) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one
PubChem CID122537743
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one
SMILESCc1c2oc(=O)cc(-c3ccccc3)c2cc2c(C3CC3)coc12
InChIInChI=1S/C21H16O3/c1-12-20-17(18(11-23-20)14-7-8-14)9-16-15(10-19(22)24-21(12)16)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8H2,1H3
InChIKeyUHGILRFBFXDLOV-UHFFFAOYSA-N
XLogP5.39
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one (CID 122537743) is 3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one is Cc1c2oc(=O)cc(-c3ccccc3)c2cc2c(C3CC3)coc12.
What is the InChIKey of 3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one?
The InChIKey is UHGILRFBFXDLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c1-12-20-17(18(11-23-20)14-7-8-14)9-16-15(10-19(22)24-21(12)16)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8H2,1H3.
What are the key properties of 3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one?
3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one has a molecular weight of 316.36 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 122537743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).