6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one

C22H15ClO4 — CID 101197029

IUPAC6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one
SMILESO=c1c(OC/C=C/c2ccccc2)c(-c2ccco2)oc2ccc(Cl)cc12
InChIInChI=1S/C22H15ClO4/c23-16-10-11-18-17(14-16)20(24)22(21(27-18)19-9-5-12-25-19)26-13-4-8-15-6-2-1-3-7-15/h1-12,14H,13H2/b8-4+
InChIKeyBHVWCXITIJKEGI-XBXARRHUSA-N
MW378.81 g/mol
LogP5.80
Rot. Bonds5

About 6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one

6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one (PubChem CID 101197029) has the molecular formula C22H15ClO4 and a molecular weight of 378.81 g/mol. Its IUPAC name is 6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one
PubChem CID101197029
Molecular FormulaC22H15ClO4
Molecular Weight378.81 g/mol
Exact Mass378.07
IUPAC Name6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one
SMILESO=c1c(OC/C=C/c2ccccc2)c(-c2ccco2)oc2ccc(Cl)cc12
InChIInChI=1S/C22H15ClO4/c23-16-10-11-18-17(14-16)20(24)22(21(27-18)19-9-5-12-25-19)26-13-4-8-15-6-2-1-3-7-15/h1-12,14H,13H2/b8-4+
InChIKeyBHVWCXITIJKEGI-XBXARRHUSA-N
XLogP5.80
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.81
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one
CID 101197027
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
N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
CID 21000703
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009
(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)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 7747145
6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
CID 10406627
6-chloro-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]chromen-2-one
CID 54678948
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
2-(1-benzothiophen-2-yl)-6-chloro-3-prop-2-enoxychromen-4-one
CID 155898992

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one?
The IUPAC name of 6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one (CID 101197029) is 6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one.
What is the SMILES notation for 6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one?
The canonical SMILES for 6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one is O=c1c(OC/C=C/c2ccccc2)c(-c2ccco2)oc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one?
The InChIKey is BHVWCXITIJKEGI-XBXARRHUSA-N. The full InChI is InChI=1S/C22H15ClO4/c23-16-10-11-18-17(14-16)20(24)22(21(27-18)19-9-5-12-25-19)26-13-4-8-15-6-2-1-3-7-15/h1-12,14H,13H2/b8-4+.
What are the key properties of 6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one?
6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one has a molecular weight of 378.81 g/mol, XLogP of 5.80, 5 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-[(E)-3-phenylprop-2-enoxy]chromen-4-one is sourced from PubChem (CID 101197029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).