6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one

C20H13ClO4 — CID 102287336

IUPAC6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
SMILESO=c1c(OCc2ccccc2)c(-c2ccoc2)oc2ccc(Cl)cc12
InChIInChI=1S/C20H13ClO4/c21-15-6-7-17-16(10-15)18(22)20(19(25-17)14-8-9-23-12-14)24-11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyJKEUAGJXPMPZDP-UHFFFAOYSA-N
MW352.77 g/mol
LogP5.29
Rot. Bonds4

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

6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one (PubChem CID 102287336) has the molecular formula C20H13ClO4 and a molecular weight of 352.77 g/mol. Its IUPAC name is 6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
PubChem CID102287336
Molecular FormulaC20H13ClO4
Molecular Weight352.77 g/mol
Exact Mass352.05
IUPAC Name6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
SMILESO=c1c(OCc2ccccc2)c(-c2ccoc2)oc2ccc(Cl)cc12
InChIInChI=1S/C20H13ClO4/c21-15-6-7-17-16(10-15)18(22)20(19(25-17)14-8-9-23-12-14)24-11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyJKEUAGJXPMPZDP-UHFFFAOYSA-N
XLogP5.29
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.77
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-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-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
CID 10406627
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 21000612
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
6-chloro-2-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methoxy]chromen-4-one
CID 21000610
5-[[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid
CID 21000428
6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746679
5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide
CID 175508448
2-(3-methylphenyl)-3-phenylmethoxychromen-4-one
CID 175470082

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one?
The IUPAC name of 6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one (CID 102287336) is 6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one.
What is the SMILES notation for 6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one?
The canonical SMILES for 6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one is O=c1c(OCc2ccccc2)c(-c2ccoc2)oc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one?
The InChIKey is JKEUAGJXPMPZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO4/c21-15-6-7-17-16(10-15)18(22)20(19(25-17)14-8-9-23-12-14)24-11-13-4-2-1-3-5-13/h1-10,12H,11H2.
What are the key properties of 6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one?
6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one has a molecular weight of 352.77 g/mol, XLogP of 5.29, 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-3-yl)-3-phenylmethoxychromen-4-one is sourced from PubChem (CID 102287336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).