1-Hydroxy-1,6-diphenylhexan-3-one

C18H20O2 — CID 44585754

IUPAC1-hydroxy-1,6-diphenylhexan-3-one
SMILESC1=CC=C(C=C1)CCCC(=O)CC(C2=CC=CC=C2)O
InChIInChI=1S/C18H20O2/c19-17(13-7-10-15-8-3-1-4-9-15)14-18(20)16-11-5-2-6-12-16/h1-6,8-9,11-12,18,20H,7,10,13-14H2
InChIKeyJQHUVCFPXGONQI-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.00
Rot. Bonds7

About 1-Hydroxy-1,6-diphenylhexan-3-one

1-Hydroxy-1,6-diphenylhexan-3-one (PubChem CID 44585754) has the molecular formula C18H20O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-hydroxy-1,6-diphenylhexan-3-one.

Molecular Properties

Compound Name1-Hydroxy-1,6-diphenylhexan-3-one
PubChem CID44585754
Molecular FormulaC18H20O2
Molecular Weight268.30 g/mol
Exact Mass268.15
IUPAC Name1-hydroxy-1,6-diphenylhexan-3-one
SMILESC1=CC=C(C=C1)CCCC(=O)CC(C2=CC=CC=C2)O
InChIInChI=1S/C18H20O2/c19-17(13-7-10-15-8-3-1-4-9-15)14-18(20)16-11-5-2-6-12-16/h1-6,8-9,11-12,18,20H,7,10,13-14H2
InChIKeyJQHUVCFPXGONQI-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity275

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoin
CID 8400
Benzhydrol
CID 7037
(R,R)-Hydrobenzoin
CID 853019
Hydrobenzoin
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1,2-Diphenylethanol
CID 94178
Ethyl 3-phenylhydracrylate, (+-)-
CID 99818
Mls002638215
CID 223673
Dihydroyashabushiketol
CID 10265808
(5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
CID 13347313
5-Methoxy-1,7-diphenyl-3-heptanone
CID 5319430
5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
CID 10040339
2-(Hydroxy-phenylmethyl)cyclopent-2-en-1-one
CID 11030566

Frequently Asked Questions

What is the IUPAC name of 1-Hydroxy-1,6-diphenylhexan-3-one?
The IUPAC name of 1-Hydroxy-1,6-diphenylhexan-3-one (CID 44585754) is 1-hydroxy-1,6-diphenylhexan-3-one.
What is the SMILES notation for 1-Hydroxy-1,6-diphenylhexan-3-one?
The canonical SMILES for 1-Hydroxy-1,6-diphenylhexan-3-one is C1=CC=C(C=C1)CCCC(=O)CC(C2=CC=CC=C2)O.
What is the InChIKey of 1-Hydroxy-1,6-diphenylhexan-3-one?
The InChIKey is JQHUVCFPXGONQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c19-17(13-7-10-15-8-3-1-4-9-15)14-18(20)16-11-5-2-6-12-16/h1-6,8-9,11-12,18,20H,7,10,13-14H2.
What are the key properties of 1-Hydroxy-1,6-diphenylhexan-3-one?
1-Hydroxy-1,6-diphenylhexan-3-one has a molecular weight of 268.30 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Hydroxy-1,6-diphenylhexan-3-one is sourced from PubChem (CID 44585754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).