[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate

C24H17ClO5 — CID 3520749

IUPAC[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate
SMILESCCc1ccc2oc(-c3ccco3)c(OC(=O)C=Cc3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C24H17ClO5/c1-2-15-7-11-19-18(14-15)22(27)24(23(29-19)20-4-3-13-28-20)30-21(26)12-8-16-5-9-17(25)10-6-16/h3-14H,2H2,1H3
InChIKeyHJUSKJQSDLGMSD-UHFFFAOYSA-N
MW420.85 g/mol
LogP5.89
Rot. Bonds5

About [6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate

[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate (PubChem CID 3520749) has the molecular formula C24H17ClO5 and a molecular weight of 420.85 g/mol. Its IUPAC name is [6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate
PubChem CID3520749
Molecular FormulaC24H17ClO5
Molecular Weight420.85 g/mol
Exact Mass420.08
IUPAC Name[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate
SMILESCCc1ccc2oc(-c3ccco3)c(OC(=O)C=Cc3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C24H17ClO5/c1-2-15-7-11-19-18(14-15)22(27)24(23(29-19)20-4-3-13-28-20)30-21(26)12-8-16-5-9-17(25)10-6-16/h3-14H,2H2,1H3
InChIKeyHJUSKJQSDLGMSD-UHFFFAOYSA-N
XLogP5.89
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.85
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-tert-butylphenyl)prop-2-enoate
CID 3520753
[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 7747145
[2-(2-chlorophenyl)-6-methyl-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate
CID 4123626
[2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 3-(3-nitrophenyl)prop-2-enoate
CID 3505462
6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
CID 7747177
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
6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one
CID 101197029
[2-(4-chlorophenyl)-6-ethyl-4-oxochromen-3-yl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 20998917
[2-(4-chlorophenyl)-6-methyl-4-oxochromen-3-yl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 4130618
(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 7747167
[2-(4-chlorophenyl)-6-methyl-4-oxochromen-3-yl] 3-(3-nitrophenyl)prop-2-enoate
CID 4130616

Frequently Asked Questions

What is the IUPAC name of [6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate?
The IUPAC name of [6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate (CID 3520749) is [6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate.
What is the SMILES notation for [6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate?
The canonical SMILES for [6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate is CCc1ccc2oc(-c3ccco3)c(OC(=O)C=Cc3ccc(Cl)cc3)c(=O)c2c1.
What is the InChIKey of [6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate?
The InChIKey is HJUSKJQSDLGMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClO5/c1-2-15-7-11-19-18(14-15)22(27)24(23(29-19)20-4-3-13-28-20)30-21(26)12-8-16-5-9-17(25)10-6-16/h3-14H,2H2,1H3.
What are the key properties of [6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate?
[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate has a molecular weight of 420.85 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 3520749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).