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

C15H14O4 — CID 1226045

IUPAC3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one
SMILESO=C(CCc1ccccc1)c1c(O)cc(O)cc1O
InChIInChI=1S/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2
InChIKeyQWQGMMRHTWIOGH-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.62
Rot. Bonds4

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

3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one (PubChem CID 1226045) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one
PubChem CID1226045
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one
SMILESO=C(CCc1ccccc1)c1c(O)cc(O)cc1O
InChIInChI=1S/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2
InChIKeyQWQGMMRHTWIOGH-UHFFFAOYSA-N
XLogP2.62
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one?
The IUPAC name of 3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one (CID 1226045) is 3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one is O=C(CCc1ccccc1)c1c(O)cc(O)cc1O.
What is the InChIKey of 3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one?
The InChIKey is QWQGMMRHTWIOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2.
What are the key properties of 3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one?
3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one has a molecular weight of 258.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one is sourced from PubChem (CID 1226045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).