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

C16H11ClO5 — CID 7747177

IUPAC6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
SMILESCC(=O)COc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H11ClO5/c1-9(18)8-21-16-14(19)11-7-10(17)4-5-12(11)22-15(16)13-3-2-6-20-13/h2-7H,8H2,1H3
InChIKeySJHUBFONXPBMPZ-UHFFFAOYSA-N
MW318.71 g/mol
LogP3.67
Rot. Bonds4

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

6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one (PubChem CID 7747177) has the molecular formula C16H11ClO5 and a molecular weight of 318.71 g/mol. Its IUPAC name is 6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
PubChem CID7747177
Molecular FormulaC16H11ClO5
Molecular Weight318.71 g/mol
Exact Mass318.03
IUPAC Name6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
SMILESCC(=O)COc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H11ClO5/c1-9(18)8-21-16-14(19)11-7-10(17)4-5-12(11)22-15(16)13-3-2-6-20-13/h2-7H,8H2,1H3
InChIKeySJHUBFONXPBMPZ-UHFFFAOYSA-N
XLogP3.67
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
CID 7747752
N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
CID 21000703
6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one
CID 101197027
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-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one
CID 101197029
[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 7747145
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate
CID 3520749
3-[2-(4-bromophenyl)-2-oxoethoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 20999935
2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
CID 7746637
[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)-3-(2-oxopropoxy)chromen-4-one?
The IUPAC name of 6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one (CID 7747177) is 6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one.
What is the SMILES notation for 6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one?
The canonical SMILES for 6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one is CC(=O)COc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one?
The InChIKey is SJHUBFONXPBMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO5/c1-9(18)8-21-16-14(19)11-7-10(17)4-5-12(11)22-15(16)13-3-2-6-20-13/h2-7H,8H2,1H3.
What are the key properties of 6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one?
6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one has a molecular weight of 318.71 g/mol, XLogP of 3.67, 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)-3-(2-oxopropoxy)chromen-4-one is sourced from PubChem (CID 7747177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).