7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one

C15H12O4 — CID 620596

IUPAC7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(O)c2)Oc2cc(O)ccc21
InChIInChI=1S/C15H12O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2
InChIKeyMXNJBOFUFMJXOB-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.80
Rot. Bonds1

About 7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one

7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 620596) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID620596
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(O)c2)Oc2cc(O)ccc21
InChIInChI=1S/C15H12O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2
InChIKeyMXNJBOFUFMJXOB-UHFFFAOYSA-N
XLogP2.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one (CID 620596) is 7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2cccc(O)c2)Oc2cc(O)ccc21.
What is the InChIKey of 7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is MXNJBOFUFMJXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2.
What are the key properties of 7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one?
7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 256.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 620596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).