3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one

C15H9ClO5 — CID 90876444

IUPAC3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
SMILESO=c1c(-c2ccc(O)c(Cl)c2)coc2cc(O)cc(O)c12
InChIInChI=1S/C15H9ClO5/c16-10-3-7(1-2-11(10)18)9-6-21-13-5-8(17)4-12(19)14(13)15(9)20/h1-6,17-19H
InChIKeyDZOBNSBCZNWJGO-UHFFFAOYSA-N
MW304.69 g/mol
LogP3.23
Rot. Bonds1

About 3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one

3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one (PubChem CID 90876444) has the molecular formula C15H9ClO5 and a molecular weight of 304.69 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
PubChem CID90876444
Molecular FormulaC15H9ClO5
Molecular Weight304.69 g/mol
Exact Mass304.01
IUPAC Name3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
SMILESO=c1c(-c2ccc(O)c(Cl)c2)coc2cc(O)cc(O)c12
InChIInChI=1S/C15H9ClO5/c16-10-3-7(1-2-11(10)18)9-6-21-13-5-8(17)4-12(19)14(13)15(9)20/h1-6,17-19H
InChIKeyDZOBNSBCZNWJGO-UHFFFAOYSA-N
XLogP3.23
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5398360
CID 66722646
CID 66722646
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methylchromen-4-one
CID 143775868
5,7-dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
CID 11013649
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)
CID 139061674
3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
CID 46879792
5,7-dihydroxy-3-pyridin-2-ylchromen-4-one
CID 5413046
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-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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one?
The IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one (CID 90876444) is 3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one.
What is the SMILES notation for 3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one?
The canonical SMILES for 3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one is O=c1c(-c2ccc(O)c(Cl)c2)coc2cc(O)cc(O)c12.
What is the InChIKey of 3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one?
The InChIKey is DZOBNSBCZNWJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO5/c16-10-3-7(1-2-11(10)18)9-6-21-13-5-8(17)4-12(19)14(13)15(9)20/h1-6,17-19H.
What are the key properties of 3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one?
3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one has a molecular weight of 304.69 g/mol, XLogP of 3.23, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one is sourced from PubChem (CID 90876444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).