3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one

C22H16Cl2O4 — CID 7742926

IUPAC3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccco3)c(OCc3ccc(Cl)c(Cl)c3)c(=O)c2cc1C
InChIInChI=1S/C22H16Cl2O4/c1-12-8-15-19(9-13(12)2)28-21(18-4-3-7-26-18)22(20(15)25)27-11-14-5-6-16(23)17(24)10-14/h3-10H,11H2,1-2H3
InChIKeyIGVMACBUSSMSSU-UHFFFAOYSA-N
MW415.27 g/mol
LogP6.56
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one

3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one (PubChem CID 7742926) has the molecular formula C22H16Cl2O4 and a molecular weight of 415.27 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
PubChem CID7742926
Molecular FormulaC22H16Cl2O4
Molecular Weight415.27 g/mol
Exact Mass414.04
IUPAC Name3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccco3)c(OCc3ccc(Cl)c(Cl)c3)c(=O)c2cc1C
InChIInChI=1S/C22H16Cl2O4/c1-12-8-15-19(9-13(12)2)28-21(18-4-3-7-26-18)22(20(15)25)27-11-14-5-6-16(23)17(24)10-14/h3-10H,11H2,1-2H3
InChIKeyIGVMACBUSSMSSU-UHFFFAOYSA-N
XLogP6.56
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.27
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999641
6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
CID 7747752
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 1413736
2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 7742670
3-[2-(4-bromophenyl)-2-oxoethoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 20999935
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999766
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999926
2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 1413285
methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
CID 7742903

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one?
The IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one (CID 7742926) is 3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one is Cc1cc2oc(-c3ccco3)c(OCc3ccc(Cl)c(Cl)c3)c(=O)c2cc1C.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one?
The InChIKey is IGVMACBUSSMSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2O4/c1-12-8-15-19(9-13(12)2)28-21(18-4-3-7-26-18)22(20(15)25)27-11-14-5-6-16(23)17(24)10-14/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one?
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one has a molecular weight of 415.27 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one is sourced from PubChem (CID 7742926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).