3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one

C17H8Cl2O3 — CID 24905989

IUPAC3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one
SMILESO=c1oc2ccc(Cl)cc2c2oc(-c3ccccc3)c(Cl)c12
InChIInChI=1S/C17H8Cl2O3/c18-10-6-7-12-11(8-10)16-13(17(20)21-12)14(19)15(22-16)9-4-2-1-3-5-9/h1-8H
InChIKeyBENDWQFCRBCIAY-UHFFFAOYSA-N
MW331.15 g/mol
LogP5.51
Rot. Bonds1

About 3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one

3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one (PubChem CID 24905989) has the molecular formula C17H8Cl2O3 and a molecular weight of 331.15 g/mol. Its IUPAC name is 3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one
PubChem CID24905989
Molecular FormulaC17H8Cl2O3
Molecular Weight331.15 g/mol
Exact Mass329.99
IUPAC Name3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one
SMILESO=c1oc2ccc(Cl)cc2c2oc(-c3ccccc3)c(Cl)c12
InChIInChI=1S/C17H8Cl2O3/c18-10-6-7-12-11(8-10)16-13(17(20)21-12)14(19)15(22-16)9-4-2-1-3-5-9/h1-8H
InChIKeyBENDWQFCRBCIAY-UHFFFAOYSA-N
XLogP5.51
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.15
LogP ≤ 55.51
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 3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one?
The IUPAC name of 3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one (CID 24905989) is 3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one is O=c1oc2ccc(Cl)cc2c2oc(-c3ccccc3)c(Cl)c12.
What is the InChIKey of 3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one?
The InChIKey is BENDWQFCRBCIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2O3/c18-10-6-7-12-11(8-10)16-13(17(20)21-12)14(19)15(22-16)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one?
3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one has a molecular weight of 331.15 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 24905989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).