6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one

C16H11ClO4 — CID 101197027

IUPAC6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one
SMILESC=CCOc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H11ClO4/c1-2-7-20-16-14(18)11-9-10(17)5-6-12(11)21-15(16)13-4-3-8-19-13/h2-6,8-9H,1,7H2
InChIKeyKVQOVAJYMJBMAR-UHFFFAOYSA-N
MW302.71 g/mol
LogP4.27
Rot. Bonds4

About 6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one

6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one (PubChem CID 101197027) has the molecular formula C16H11ClO4 and a molecular weight of 302.71 g/mol. Its IUPAC name is 6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one
PubChem CID101197027
Molecular FormulaC16H11ClO4
Molecular Weight302.71 g/mol
Exact Mass302.03
IUPAC Name6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one
SMILESC=CCOc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H11ClO4/c1-2-7-20-16-14(18)11-9-10(17)5-6-12(11)21-15(16)13-4-3-8-19-13/h2-6,8-9H,1,7H2
InChIKeyKVQOVAJYMJBMAR-UHFFFAOYSA-N
XLogP4.27
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one
CID 101197029
6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
CID 7747177
2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one
CID 155898992
methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate
CID 21000699
N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
CID 21000703
(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 7747167
[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 7747145
[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate
CID 3520749
6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
CID 7747752
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926
6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
CID 10406627
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one?
The IUPAC name of 6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one (CID 101197027) is 6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one.
What is the SMILES notation for 6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one?
The canonical SMILES for 6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one is C=CCOc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one?
The InChIKey is KVQOVAJYMJBMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO4/c1-2-7-20-16-14(18)11-9-10(17)5-6-12(11)21-15(16)13-4-3-8-19-13/h2-6,8-9H,1,7H2.
What are the key properties of 6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one?
6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one has a molecular weight of 302.71 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one is sourced from PubChem (CID 101197027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).