7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one

C16H12O4 — CID 10084377

IUPAC7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one
SMILESO=c1cc(Cc2ccc(O)cc2)oc2cc(O)ccc12
InChIInChI=1S/C16H12O4/c17-11-3-1-10(2-4-11)7-13-9-15(19)14-6-5-12(18)8-16(14)20-13/h1-6,8-9,17-18H,7H2
InChIKeyZUDKQDRWUFGUDQ-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.80
Rot. Bonds2

About 7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one

7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one (PubChem CID 10084377) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one
PubChem CID10084377
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one
SMILESO=c1cc(Cc2ccc(O)cc2)oc2cc(O)ccc12
InChIInChI=1S/C16H12O4/c17-11-3-1-10(2-4-11)7-13-9-15(19)14-6-5-12(18)8-16(14)20-13/h1-6,8-9,17-18H,7H2
InChIKeyZUDKQDRWUFGUDQ-UHFFFAOYSA-N
XLogP2.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
CID 10493135
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
7-hydroxy-2-(2-phenylethyl)chromen-4-one
CID 10890802
ethyl 7-hydroxy-4-oxochromene-2-carboxylate;7-hydroxy-2-(hydroxymethyl)chromen-4-one
CID 160975514
7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one
CID 127028817
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
4-amino-7-hydroxychromen-2-one
CID 5403605
7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one
CID 123634967
7-hydroxy-2-phenylchromen-4-one
CID 5281894
4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol
CID 123388809
3-benzyl-4,7-dihydroxychromen-2-one
CID 54682330
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one?
The IUPAC name of 7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one (CID 10084377) is 7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one?
The canonical SMILES for 7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one is O=c1cc(Cc2ccc(O)cc2)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one?
The InChIKey is ZUDKQDRWUFGUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-11-3-1-10(2-4-11)7-13-9-15(19)14-6-5-12(18)8-16(14)20-13/h1-6,8-9,17-18H,7H2.
What are the key properties of 7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one?
7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one has a molecular weight of 268.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one is sourced from PubChem (CID 10084377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).