2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one

C19H10Cl2O3 — CID 2019413

IUPAC2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one
SMILESO=c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)oc2ccccc12
InChIInChI=1S/C19H10Cl2O3/c20-13-6-5-11(9-14(13)21)16-7-8-18(23-16)19-10-15(22)12-3-1-2-4-17(12)24-19/h1-10H
InChIKeyIUWXGNDKINNBON-UHFFFAOYSA-N
MW357.19 g/mol
LogP6.03
Rot. Bonds2

About 2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one

2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one (PubChem CID 2019413) has the molecular formula C19H10Cl2O3 and a molecular weight of 357.19 g/mol. Its IUPAC name is 2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one.

Molecular Properties

Compound Name2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one
PubChem CID2019413
Molecular FormulaC19H10Cl2O3
Molecular Weight357.19 g/mol
Exact Mass356.00
IUPAC Name2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one
SMILESO=c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)oc2ccccc12
InChIInChI=1S/C19H10Cl2O3/c20-13-6-5-11(9-14(13)21)16-7-8-18(23-16)19-10-15(22)12-3-1-2-4-17(12)24-19/h1-10H
InChIKeyIUWXGNDKINNBON-UHFFFAOYSA-N
XLogP6.03
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.19
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one?
The IUPAC name of 2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one (CID 2019413) is 2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one.
What is the SMILES notation for 2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one?
The canonical SMILES for 2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one is O=c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)oc2ccccc12.
What is the InChIKey of 2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one?
The InChIKey is IUWXGNDKINNBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2O3/c20-13-6-5-11(9-14(13)21)16-7-8-18(23-16)19-10-15(22)12-3-1-2-4-17(12)24-19/h1-10H.
What are the key properties of 2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one?
2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one has a molecular weight of 357.19 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dichlorophenyl)furan-2-yl]chromen-4-one is sourced from PubChem (CID 2019413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).