2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one

C20H12Cl2O3 — CID 2017751

IUPAC2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one
SMILESCc1ccc2oc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)cc(=O)c2c1
InChIInChI=1S/C20H12Cl2O3/c1-11-2-5-18-14(8-11)16(23)10-20(25-18)19-7-6-17(24-19)13-9-12(21)3-4-15(13)22/h2-10H,1H3
InChIKeyJASOWWZGFQDTCG-UHFFFAOYSA-N
MW371.22 g/mol
LogP6.34
Rot. Bonds2

About 2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one

2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one (PubChem CID 2017751) has the molecular formula C20H12Cl2O3 and a molecular weight of 371.22 g/mol. Its IUPAC name is 2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one.

Molecular Properties

Compound Name2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one
PubChem CID2017751
Molecular FormulaC20H12Cl2O3
Molecular Weight371.22 g/mol
Exact Mass370.02
IUPAC Name2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one
SMILESCc1ccc2oc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)cc(=O)c2c1
InChIInChI=1S/C20H12Cl2O3/c1-11-2-5-18-14(8-11)16(23)10-20(25-18)19-7-6-17(24-19)13-9-12(21)3-4-15(13)22/h2-10H,1H3
InChIKeyJASOWWZGFQDTCG-UHFFFAOYSA-N
XLogP6.34
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.22
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one?
The IUPAC name of 2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one (CID 2017751) is 2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one.
What is the SMILES notation for 2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one?
The canonical SMILES for 2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one is Cc1ccc2oc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)cc(=O)c2c1.
What is the InChIKey of 2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one?
The InChIKey is JASOWWZGFQDTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O3/c1-11-2-5-18-14(8-11)16(23)10-20(25-18)19-7-6-17(24-19)13-9-12(21)3-4-15(13)22/h2-10H,1H3.
What are the key properties of 2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one?
2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one has a molecular weight of 371.22 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one is sourced from PubChem (CID 2017751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).