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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Related Compounds

2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one
CID 122537825
5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one
CID 707772
7-(4-chlorophenyl)-9-methyl-3-phenylfuro[3,2-g]chromen-5-one
CID 25148063
7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one
CID 122537803
4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one
CID 122537787
2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one
CID 907369
6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
CID 122537723
1-[2-(5,9-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]piperidine-2-carboxylic acid
CID 4266891
(8-methyl-2-oxo-4-phenylchromen-7-yl) benzenesulfonate
CID 2291880
10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 7679113
2-methyl-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxypropanoic acid
CID 20991063
(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid
CID 978425

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).