3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one

C15H9ClO4 — CID 5398360

IUPAC3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)coc2cc(O)cc(O)c12
InChIInChI=1S/C15H9ClO4/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,17-18H
InChIKeyCEYJHCLWEJDJFS-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.52
Rot. Bonds1

About 3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one

3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one (PubChem CID 5398360) has the molecular formula C15H9ClO4 and a molecular weight of 288.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
PubChem CID5398360
Molecular FormulaC15H9ClO4
Molecular Weight288.69 g/mol
Exact Mass288.02
IUPAC Name3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)coc2cc(O)cc(O)c12
InChIInChI=1S/C15H9ClO4/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,17-18H
InChIKeyCEYJHCLWEJDJFS-UHFFFAOYSA-N
XLogP3.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-5,7-dihydroxychromen-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

CID 66722646
CID 66722646
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 90876444
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)
CID 139061674
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 131738913
7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 25061265
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;pyridine-3-carboxamide;hydrate
CID 72544041
5,7-dihydroxy-3-pyridin-2-ylchromen-4-one
CID 5413046
(2R,3R,4R,5S,6R)-6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 124934066
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 161247477
5,7-dihydroxy-3-[4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 7897150
5,7-dihydroxy-3-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 40782074

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one?
The IUPAC name of 3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one (CID 5398360) is 3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one is O=c1c(-c2ccc(Cl)cc2)coc2cc(O)cc(O)c12.
What is the InChIKey of 3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one?
The InChIKey is CEYJHCLWEJDJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO4/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,17-18H.
What are the key properties of 3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one?
3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one has a molecular weight of 288.69 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one is sourced from PubChem (CID 5398360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).