1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one

C18H20O3 — CID 140936055

IUPAC1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one
SMILESCCC(CCC(=O)c1c(O)cccc1O)c1ccccc1
InChIInChI=1S/C18H20O3/c1-2-13(14-7-4-3-5-8-14)11-12-17(21)18-15(19)9-6-10-16(18)20/h3-10,13,19-20H,2,11-12H2,1H3
InChIKeyMBDVZCRMIHPHSI-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.25
Rot. Bonds6

About 1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one

1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one (PubChem CID 140936055) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one.

Molecular Properties

Compound Name1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one
PubChem CID140936055
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one
SMILESCCC(CCC(=O)c1c(O)cccc1O)c1ccccc1
InChIInChI=1S/C18H20O3/c1-2-13(14-7-4-3-5-8-14)11-12-17(21)18-15(19)9-6-10-16(18)20/h3-10,13,19-20H,2,11-12H2,1H3
InChIKeyMBDVZCRMIHPHSI-UHFFFAOYSA-N
XLogP4.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyloctan-3-one
CID 83936524
2-methyl-6-phenyloctan-3-one
CID 157318832
3-phenyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one
CID 176881925
propan-2-yl 4-phenylhexanoate
CID 144552078
(3R)-1,3-diphenylpentan-1-one
CID 11042799
barium(2+);bis(16-phenyloctadecanoate)
CID 101320100
6-(3-hydroxyphenyl)octan-3-one
CID 83930268
ethane;3-phenylpentanoic acid
CID 142147200
2-(aminomethyl)-5-phenylheptanoic acid
CID 69271345
azane;pentan-3-ylbenzene
CID 19774895
pentan-3-ylbenzene;selenic acid
CID 175520254
2-butyl-6-phenyloct-2-enamide
CID 140694799

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one?
The IUPAC name of 1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one (CID 140936055) is 1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one.
What is the SMILES notation for 1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one?
The canonical SMILES for 1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one is CCC(CCC(=O)c1c(O)cccc1O)c1ccccc1.
What is the InChIKey of 1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one?
The InChIKey is MBDVZCRMIHPHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-13(14-7-4-3-5-8-14)11-12-17(21)18-15(19)9-6-10-16(18)20/h3-10,13,19-20H,2,11-12H2,1H3.
What are the key properties of 1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one?
1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one has a molecular weight of 284.36 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one is sourced from PubChem (CID 140936055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).