[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate

C22H15ClO6 — CID 7747145

IUPAC[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2c(-c3ccco3)oc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C22H15ClO6/c1-26-15-7-4-13(5-8-15)11-19(24)29-22-20(25)16-12-14(23)6-9-17(16)28-21(22)18-3-2-10-27-18/h2-10,12H,11H2,1H3
InChIKeyYLHAZHQZYDWPGI-UHFFFAOYSA-N
MW410.81 g/mol
LogP4.86
Rot. Bonds5

About [6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate

[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate (PubChem CID 7747145) has the molecular formula C22H15ClO6 and a molecular weight of 410.81 g/mol. Its IUPAC name is [6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
PubChem CID7747145
Molecular FormulaC22H15ClO6
Molecular Weight410.81 g/mol
Exact Mass410.06
IUPAC Name[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2c(-c3ccco3)oc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C22H15ClO6/c1-26-15-7-4-13(5-8-15)11-19(24)29-22-20(25)16-12-14(23)6-9-17(16)28-21(22)18-3-2-10-27-18/h2-10,12H,11H2,1H3
InChIKeyYLHAZHQZYDWPGI-UHFFFAOYSA-N
XLogP4.86
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
CID 7747177
methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate
CID 21000699
(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 7747167
[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate
CID 3520749
6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one
CID 101197027
N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
CID 21000703
[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 21001601
6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one
CID 101197029
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate
CID 1409522
[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl] cyclohexanecarboxylate
CID 7747103
[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 21000490
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate (CID 7747145) is [6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)Oc2c(-c3ccco3)oc3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of [6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate?
The InChIKey is YLHAZHQZYDWPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO6/c1-26-15-7-4-13(5-8-15)11-19(24)29-22-20(25)16-12-14(23)6-9-17(16)28-21(22)18-3-2-10-27-18/h2-10,12H,11H2,1H3.
What are the key properties of [6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate?
[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate has a molecular weight of 410.81 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 7747145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).