3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

C15H14O5 — CID 4788

IUPAC3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
SMILESO=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O
InChIInChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
InChIKeyVGEREEWJJVICBM-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.32
Rot. Bonds4

About 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one (PubChem CID 4788) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
PubChem CID4788
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
SMILESO=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O
InChIInChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
InChIKeyVGEREEWJJVICBM-UHFFFAOYSA-N
XLogP2.32
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Genistein
CID 5280961
2-Hydroxy-4-methoxybenzophenone
CID 4632
Octabenzone
CID 15797
Apigenin
CID 5280443
Emodin
CID 3220
Naringenin
CID 439246
Kaempferol
CID 5280863
Daidzein
CID 5281708
Chrysin
CID 5281607
Paeonol
CID 11092
Galangin
CID 5281616
Biochanin A
CID 5280373

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one (CID 4788) is 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one is O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one?
The InChIKey is VGEREEWJJVICBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2.
What are the key properties of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one?
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one has a molecular weight of 274.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one is sourced from PubChem (CID 4788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).