6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one

C17H13ClO5 — CID 7747752

IUPAC6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
SMILESCC(=O)COc1c(-c2ccco2)oc2cc(C)c(Cl)cc2c1=O
InChIInChI=1S/C17H13ClO5/c1-9-6-14-11(7-12(9)18)15(20)17(22-8-10(2)19)16(23-14)13-4-3-5-21-13/h3-7H,8H2,1-2H3
InChIKeyXSAMESORFIMTBS-UHFFFAOYSA-N
MW332.74 g/mol
LogP3.98
Rot. Bonds4

About 6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one

6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one (PubChem CID 7747752) has the molecular formula C17H13ClO5 and a molecular weight of 332.74 g/mol. Its IUPAC name is 6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
PubChem CID7747752
Molecular FormulaC17H13ClO5
Molecular Weight332.74 g/mol
Exact Mass332.05
IUPAC Name6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
SMILESCC(=O)COc1c(-c2ccco2)oc2cc(C)c(Cl)cc2c1=O
InChIInChI=1S/C17H13ClO5/c1-9-6-14-11(7-12(9)18)15(20)17(22-8-10(2)19)16(23-14)13-4-3-5-21-13/h3-7H,8H2,1-2H3
InChIKeyXSAMESORFIMTBS-UHFFFAOYSA-N
XLogP3.98
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
CID 7747177
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
3-[2-(4-bromophenyl)-2-oxoethoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 20999935
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide
CID 21001500
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999926
methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
CID 7742903
N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
CID 21000703
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
CID 7742836
N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 21000991

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one?
The IUPAC name of 6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one (CID 7747752) is 6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one.
What is the SMILES notation for 6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one?
The canonical SMILES for 6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one is CC(=O)COc1c(-c2ccco2)oc2cc(C)c(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one?
The InChIKey is XSAMESORFIMTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO5/c1-9-6-14-11(7-12(9)18)15(20)17(22-8-10(2)19)16(23-14)13-4-3-5-21-13/h3-7H,8H2,1-2H3.
What are the key properties of 6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one?
6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one has a molecular weight of 332.74 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one is sourced from PubChem (CID 7747752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).