2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one

C20H16O3 — CID 707839

IUPAC2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one
SMILESCc1oc2c(c(C)cc3oc(=O)cc(-c4ccccc4)c32)c1C
InChIInChI=1S/C20H16O3/c1-11-9-16-19(20-18(11)12(2)13(3)22-20)15(10-17(21)23-16)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyMBDBUSOFVNUVKA-UHFFFAOYSA-N
MW304.34 g/mol
LogP5.13
Rot. Bonds1

About 2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one

2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one (PubChem CID 707839) has the molecular formula C20H16O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one.

Molecular Properties

Compound Name2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one
PubChem CID707839
Molecular FormulaC20H16O3
Molecular Weight304.34 g/mol
Exact Mass304.11
IUPAC Name2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one
SMILESCc1oc2c(c(C)cc3oc(=O)cc(-c4ccccc4)c32)c1C
InChIInChI=1S/C20H16O3/c1-11-9-16-19(20-18(11)12(2)13(3)22-20)15(10-17(21)23-16)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyMBDBUSOFVNUVKA-UHFFFAOYSA-N
XLogP5.13
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.34
LogP ≤ 55.13
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 2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one?
The IUPAC name of 2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one (CID 707839) is 2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one.
What is the SMILES notation for 2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one?
The canonical SMILES for 2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one is Cc1oc2c(c(C)cc3oc(=O)cc(-c4ccccc4)c32)c1C.
What is the InChIKey of 2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one?
The InChIKey is MBDBUSOFVNUVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-11-9-16-19(20-18(11)12(2)13(3)22-20)15(10-17(21)23-16)14-7-5-4-6-8-14/h4-10H,1-3H3.
What are the key properties of 2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one?
2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one has a molecular weight of 304.34 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one is sourced from PubChem (CID 707839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).