2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

C15H10O7 — CID 5281670

IUPAC2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
SMILESO=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
InChIKeyYXOLAZRVSSWPPT-UHFFFAOYSA-N
MW302.24 g/mol
LogP1.99
Rot. Bonds1

About 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one (PubChem CID 5281670) has the molecular formula C15H10O7 and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
PubChem CID5281670
Molecular FormulaC15H10O7
Molecular Weight302.24 g/mol
Exact Mass302.04
IUPAC Name2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
SMILESO=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
InChIKeyYXOLAZRVSSWPPT-UHFFFAOYSA-N
XLogP1.99
TPSA131.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 51.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one (CID 5281670) is 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one is O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one?
The InChIKey is YXOLAZRVSSWPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H.
What are the key properties of 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one?
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one has a molecular weight of 302.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one is sourced from PubChem (CID 5281670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).