[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate

C22H16O5 — CID 1409504

IUPAC[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate
SMILESCc1cc(C)c2oc(-c3ccco3)c(OC(=O)c3ccccc3)c(=O)c2c1
InChIInChI=1S/C22H16O5/c1-13-11-14(2)19-16(12-13)18(23)21(20(26-19)17-9-6-10-25-17)27-22(24)15-7-4-3-5-8-15/h3-12H,1-2H3
InChIKeyHGEIPODVCDSCRG-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.89
Rot. Bonds3

About [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate

[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate (PubChem CID 1409504) has the molecular formula C22H16O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate.

Molecular Properties

Compound Name[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate
PubChem CID1409504
Molecular FormulaC22H16O5
Molecular Weight360.37 g/mol
Exact Mass360.10
IUPAC Name[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate
SMILESCc1cc(C)c2oc(-c3ccco3)c(OC(=O)c3ccccc3)c(=O)c2c1
InChIInChI=1S/C22H16O5/c1-13-11-14(2)19-16(12-13)18(23)21(20(26-19)17-9-6-10-25-17)27-22(24)15-7-4-3-5-8-15/h3-12H,1-2H3
InChIKeyHGEIPODVCDSCRG-UHFFFAOYSA-N
XLogP4.89
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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] 5-bromopyridine-3-carboxylate
CID 1409513
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999926
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate
CID 1409522
3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one
CID 1413307
2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 1413285
[2-(2-chlorophenyl)-6,8-dimethyl-4-oxochromen-3-yl] pyridine-3-carboxylate
CID 1409360
(2,4,6-trimethyl-7-oxocyclohepta-1,3,5-trien-1-yl) benzoate
CID 23741616
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
CID 58431996
[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 7742740
(2-benzoyl-4,6-dimethylphenyl) benzoate
CID 141250028

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate?
The IUPAC name of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate (CID 1409504) is [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate.
What is the SMILES notation for [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate?
The canonical SMILES for [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate is Cc1cc(C)c2oc(-c3ccco3)c(OC(=O)c3ccccc3)c(=O)c2c1.
What is the InChIKey of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate?
The InChIKey is HGEIPODVCDSCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O5/c1-13-11-14(2)19-16(12-13)18(23)21(20(26-19)17-9-6-10-25-17)27-22(24)15-7-4-3-5-8-15/h3-12H,1-2H3.
What are the key properties of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate?
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate has a molecular weight of 360.37 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate is sourced from PubChem (CID 1409504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).