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

C17H14O4 — CID 10493135

IUPAC7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
SMILESO=c1cc(CCc2ccc(O)cc2)oc2cc(O)ccc12
InChIInChI=1S/C17H14O4/c18-12-4-1-11(2-5-12)3-7-14-10-16(20)15-8-6-13(19)9-17(15)21-14/h1-2,4-6,8-10,18-19H,3,7H2
InChIKeyKOAJQOJOHHPMFY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.99
Rot. Bonds3

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

7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one (PubChem CID 10493135) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
PubChem CID10493135
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
SMILESO=c1cc(CCc2ccc(O)cc2)oc2cc(O)ccc12
InChIInChI=1S/C17H14O4/c18-12-4-1-11(2-5-12)3-7-14-10-16(20)15-8-6-13(19)9-17(15)21-14/h1-2,4-6,8-10,18-19H,3,7H2
InChIKeyKOAJQOJOHHPMFY-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 7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one?
The IUPAC name of 7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one (CID 10493135) is 7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one?
The canonical SMILES for 7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one is O=c1cc(CCc2ccc(O)cc2)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one?
The InChIKey is KOAJQOJOHHPMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-12-4-1-11(2-5-12)3-7-14-10-16(20)15-8-6-13(19)9-17(15)21-14/h1-2,4-6,8-10,18-19H,3,7H2.
What are the key properties of 7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one?
7-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 7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one is sourced from PubChem (CID 10493135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).