3,5,7-trihydroxy-2-phenylchromen-4-one

C15H10O5 — CID 162642124

IUPAC3,5,7-trihydroxy-2-phenylchromen-4-one
SMILESO=[13c]1c2c(O)cc(O)cc2o[13c](-c2ccccc2)[13c]1O
InChIInChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H/i13+1,14+1,15+1
InChIKeyVCCRNZQBSJXYJD-UIDJNKKJSA-N
MW273.22 g/mol
LogP2.58
Rot. Bonds1

About 3,5,7-trihydroxy-2-phenylchromen-4-one

3,5,7-trihydroxy-2-phenylchromen-4-one (PubChem CID 162642124) has the molecular formula C15H10O5 and a molecular weight of 273.22 g/mol. Its IUPAC name is 3,5,7-trihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name3,5,7-trihydroxy-2-phenylchromen-4-one
PubChem CID162642124
Molecular FormulaC15H10O5
Molecular Weight273.22 g/mol
Exact Mass273.06
IUPAC Name3,5,7-trihydroxy-2-phenylchromen-4-one
SMILESO=[13c]1c2c(O)cc(O)cc2o[13c](-c2ccccc2)[13c]1O
InChIInChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H/i13+1,14+1,15+1
InChIKeyVCCRNZQBSJXYJD-UIDJNKKJSA-N
XLogP2.58
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzoic acid
CID 86205753
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
CID 10453329
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 5281672
actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067
cobalt;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 174557156
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833
bis(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one);manganese(2+);dihydrate
CID 53494945
sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
CID 175300152
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 87194553
2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one
CID 101084152

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trihydroxy-2-phenylchromen-4-one?
The IUPAC name of 3,5,7-trihydroxy-2-phenylchromen-4-one (CID 162642124) is 3,5,7-trihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 3,5,7-trihydroxy-2-phenylchromen-4-one?
The canonical SMILES for 3,5,7-trihydroxy-2-phenylchromen-4-one is O=[13c]1c2c(O)cc(O)cc2o[13c](-c2ccccc2)[13c]1O.
What is the InChIKey of 3,5,7-trihydroxy-2-phenylchromen-4-one?
The InChIKey is VCCRNZQBSJXYJD-UIDJNKKJSA-N. The full InChI is InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H/i13+1,14+1,15+1.
What are the key properties of 3,5,7-trihydroxy-2-phenylchromen-4-one?
3,5,7-trihydroxy-2-phenylchromen-4-one has a molecular weight of 273.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 162642124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).