5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one

C17H14O4 — CID 118278480

IUPAC5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
SMILESO=c1cc(CCc2ccc(O)cc2)oc2cccc(O)c12
InChIInChI=1S/C17H14O4/c18-12-7-4-11(5-8-12)6-9-13-10-15(20)17-14(19)2-1-3-16(17)21-13/h1-5,7-8,10,18-19H,6,9H2
InChIKeyOJTWDWWQKJAYNT-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.99
Rot. Bonds3

About 5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one

5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one (PubChem CID 118278480) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
PubChem CID118278480
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
SMILESO=c1cc(CCc2ccc(O)cc2)oc2cccc(O)c12
InChIInChI=1S/C17H14O4/c18-12-7-4-11(5-8-12)6-9-13-10-15(20)17-14(19)2-1-3-16(17)21-13/h1-5,7-8,10,18-19H,6,9H2
InChIKeyOJTWDWWQKJAYNT-UHFFFAOYSA-N
XLogP2.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one?
The IUPAC name of 5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one (CID 118278480) is 5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one?
The canonical SMILES for 5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one is O=c1cc(CCc2ccc(O)cc2)oc2cccc(O)c12.
What is the InChIKey of 5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one?
The InChIKey is OJTWDWWQKJAYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-12-7-4-11(5-8-12)6-9-13-10-15(20)17-14(19)2-1-3-16(17)21-13/h1-5,7-8,10,18-19H,6,9H2.
What are the key properties of 5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one?
5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one is sourced from PubChem (CID 118278480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).