5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride

C15H11ClO4 — CID 138397548

IUPAC5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride
SMILESCl.O=c1cc2oc(-c3ccc(O)cc3)ccc-2c(O)c1
InChIInChI=1S/C15H10O4.ClH/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14;/h1-8,16,18H;1H
InChIKeyNOKFAMFGXGXRTR-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.24
Rot. Bonds1

About 5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride

5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride (PubChem CID 138397548) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride
PubChem CID138397548
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride
SMILESCl.O=c1cc2oc(-c3ccc(O)cc3)ccc-2c(O)c1
InChIInChI=1S/C15H10O4.ClH/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14;/h1-8,16,18H;1H
InChIKeyNOKFAMFGXGXRTR-UHFFFAOYSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 131675941
2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
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6,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 59800838
2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one
CID 10756387
5-[[5-(4-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86222599
6-hydroxy-9-phenylxanthen-3-one
CID 2818392
carbon dioxide;6-hydroxy-9-(4-methylphenyl)xanthen-3-one
CID 160590313
2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one
CID 10542280
5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione
CID 174915841
9-tert-butyl-6-hydroxyxanthen-3-one
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CID 87871396

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride (CID 138397548) is 5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride is Cl.O=c1cc2oc(-c3ccc(O)cc3)ccc-2c(O)c1.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride?
The InChIKey is NOKFAMFGXGXRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4.ClH/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14;/h1-8,16,18H;1H.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride?
5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride has a molecular weight of 290.70 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)chromen-7-one;hydrochloride is sourced from PubChem (CID 138397548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).