2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one

C23H20O4 — CID 1413285

IUPAC2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
SMILESCc1cccc(COc2c(-c3ccco3)oc3c(C)cc(C)cc3c2=O)c1
InChIInChI=1S/C23H20O4/c1-14-6-4-7-17(11-14)13-26-23-20(24)18-12-15(2)10-16(3)21(18)27-22(23)19-8-5-9-25-19/h4-12H,13H2,1-3H3
InChIKeyRSOUZNCJDIVOBI-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.56
Rot. Bonds4

About 2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one

2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one (PubChem CID 1413285) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
PubChem CID1413285
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
SMILESCc1cccc(COc2c(-c3ccco3)oc3c(C)cc(C)cc3c2=O)c1
InChIInChI=1S/C23H20O4/c1-14-6-4-7-17(11-14)13-26-23-20(24)18-12-15(2)10-16(3)21(18)27-22(23)19-8-5-9-25-19/h4-12H,13H2,1-3H3
InChIKeyRSOUZNCJDIVOBI-UHFFFAOYSA-N
XLogP5.56
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one
CID 1413307
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate
CID 1409502
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate
CID 1409504
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate
CID 1409522
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate
CID 1409513
6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
CID 7747823
2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 7742670
6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001716
2-(3-methylphenyl)-3-phenylmethoxychromen-4-one
CID 175470082
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
2-benzyl-5,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880970

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one?
The IUPAC name of 2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one (CID 1413285) is 2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one.
What is the SMILES notation for 2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one?
The canonical SMILES for 2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one is Cc1cccc(COc2c(-c3ccco3)oc3c(C)cc(C)cc3c2=O)c1.
What is the InChIKey of 2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one?
The InChIKey is RSOUZNCJDIVOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-14-6-4-7-17(11-14)13-26-23-20(24)18-12-15(2)10-16(3)21(18)27-22(23)19-8-5-9-25-19/h4-12H,13H2,1-3H3.
What are the key properties of 2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one?
2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one has a molecular weight of 360.41 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one is sourced from PubChem (CID 1413285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).