4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one

C13H12O4 — CID 71424203

IUPAC4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one
SMILESO=c1cc(O)cc(CCc2ccc(O)cc2)o1
InChIInChI=1S/C13H12O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-2,4-5,7-8,14-15H,3,6H2
InChIKeyKKLHRBKHXBCHPR-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.84
Rot. Bonds3

About 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one

4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one (PubChem CID 71424203) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one
PubChem CID71424203
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one
SMILESO=c1cc(O)cc(CCc2ccc(O)cc2)o1
InChIInChI=1S/C13H12O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-2,4-5,7-8,14-15H,3,6H2
InChIKeyKKLHRBKHXBCHPR-UHFFFAOYSA-N
XLogP1.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.84
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
5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
CID 118278480
4-hydroxy-6-pentylpyran-2-one
CID 54686804
7-hydroxy-2-(2-phenylethyl)chromen-4-one
CID 10890802
2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol
CID 163472366
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
6-(5-diazenylpentyl)-4-hydroxypyran-2-one
CID 70828387
1-(4-hydroxy-6-oxopyran-2-yl)pentane-2,4-dione
CID 131860326
6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one
CID 57400515
6-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrano[3,2-c]pyridine-2,5-dione
CID 135638868
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405
7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one
CID 10084377

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one (CID 71424203) is 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one is O=c1cc(O)cc(CCc2ccc(O)cc2)o1.
What is the InChIKey of 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one?
The InChIKey is KKLHRBKHXBCHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-2,4-5,7-8,14-15H,3,6H2.
What are the key properties of 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one?
4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one has a molecular weight of 232.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one is sourced from PubChem (CID 71424203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).