2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one

C15H9ClO4 — CID 5480905

IUPAC2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
SMILESO=c1cc(-c2cccc(Cl)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H
InChIKeyNNZXUWPQCQOANK-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.52
Rot. Bonds1

About 2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one

2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one (PubChem CID 5480905) has the molecular formula C15H9ClO4 and a molecular weight of 288.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
PubChem CID5480905
Molecular FormulaC15H9ClO4
Molecular Weight288.69 g/mol
Exact Mass288.02
IUPAC Name2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
SMILESO=c1cc(-c2cccc(Cl)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H
InChIKeyNNZXUWPQCQOANK-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

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Related Compounds

5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
5,7-dihydroxy-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
CID 172653209
[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504390
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
CID 25267158
CID 172853606
CID 172853606
2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
CID 125350333
5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]chromen-4-one
CID 71314865

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one?
The IUPAC name of 2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one (CID 5480905) is 2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one is O=c1cc(-c2cccc(Cl)c2)oc2cc(O)cc(O)c12.
What is the InChIKey of 2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one?
The InChIKey is NNZXUWPQCQOANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H.
What are the key properties of 2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one?
2-(3-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 2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one is sourced from PubChem (CID 5480905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).