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

C17H18O4 — CID 176881925

IUPAC3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one
SMILESCCC(CC(=O)c1c(O)cc(O)cc1O)c1ccccc1
InChIInChI=1S/C17H18O4/c1-2-11(12-6-4-3-5-7-12)8-14(19)17-15(20)9-13(18)10-16(17)21/h3-7,9-11,18,20-21H,2,8H2,1H3
InChIKeyFAXRDMXZFADKGS-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.57
Rot. Bonds5

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

3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one (PubChem CID 176881925) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one
PubChem CID176881925
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one
SMILESCCC(CC(=O)c1c(O)cc(O)cc1O)c1ccccc1
InChIInChI=1S/C17H18O4/c1-2-11(12-6-4-3-5-7-12)8-14(19)17-15(20)9-13(18)10-16(17)21/h3-7,9-11,18,20-21H,2,8H2,1H3
InChIKeyFAXRDMXZFADKGS-UHFFFAOYSA-N
XLogP3.57
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1,3-diphenylpentan-1-one
CID 11042799
1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one
CID 140936055
ethane;3-phenylpentanoic acid
CID 142147200
(3S)-3-phenylpentanoyl chloride
CID 42074098
2,2-dimethyl-5-phenylheptan-3-one
CID 15091945
1-(3-methoxyphenyl)-3-phenylpentan-1-one
CID 72785339
(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
CID 102486648
3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
CID 58517183
azane;pentan-3-ylbenzene
CID 19774895
pentan-3-ylbenzene;selenic acid
CID 175520254
2-oxo-2-(2-phenylbutoxy)acetic acid
CID 22390935

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one?
The IUPAC name of 3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one (CID 176881925) is 3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one.
What is the SMILES notation for 3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one?
The canonical SMILES for 3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one is CCC(CC(=O)c1c(O)cc(O)cc1O)c1ccccc1.
What is the InChIKey of 3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one?
The InChIKey is FAXRDMXZFADKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-11(12-6-4-3-5-7-12)8-14(19)17-15(20)9-13(18)10-16(17)21/h3-7,9-11,18,20-21H,2,8H2,1H3.
What are the key properties of 3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one?
3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one has a molecular weight of 286.33 g/mol, XLogP of 3.57, 5 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)pentan-1-one is sourced from PubChem (CID 176881925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).