5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C15H12O5 — CID 932

IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
InChIKeyFTVWIRXFELQLPI-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.51
Rot. Bonds1

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 932) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID932
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
InChIKeyFTVWIRXFELQLPI-UHFFFAOYSA-N
XLogP2.51
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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2-Hydroxy-4-methoxybenzophenone
CID 4632
Octabenzone
CID 15797
Apigenin
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Diosmetin
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Phloretin
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Hesperetin
CID 72281
(+)-Dihydromyricetin
CID 161557
Naringenin
CID 439246

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (CID 932) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21.
What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is FTVWIRXFELQLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2.
What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 272.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).