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

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Related Compounds

6-chloro-2-(2-chlorophenyl)chromen-4-one
CID 688872
2-(2,5-dichlorophenyl)-5-methylfuran;ethane
CID 143821579
2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one
CID 82046648
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
2-(4-aminophenyl)-6-methylchromen-4-one
CID 10999496
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one
CID 7729084
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one
CID 82046653
6-chloro-2-cyclopenta-1,3-dien-1-ylchromen-4-one
CID 87386547
6-methyl-2-propan-2-ylchromen-4-one
CID 170985483
6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one
CID 73352575

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).