4-hydroxy-1,6-diphenylhexan-2-one

C18H20O2 — CID 24881473

IUPAC4-hydroxy-1,6-diphenylhexan-2-one
SMILESO=C(Cc1ccccc1)CC(O)CCc1ccccc1
InChIInChI=1S/C18H20O2/c19-17(12-11-15-7-3-1-4-8-15)14-18(20)13-16-9-5-2-6-10-16/h1-10,17,19H,11-14H2
InChIKeyYSUOVCJQANDGMA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.18
Rot. Bonds7

About 4-hydroxy-1,6-diphenylhexan-2-one

4-hydroxy-1,6-diphenylhexan-2-one (PubChem CID 24881473) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-hydroxy-1,6-diphenylhexan-2-one.

Molecular Properties

Compound Name4-hydroxy-1,6-diphenylhexan-2-one
PubChem CID24881473
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-hydroxy-1,6-diphenylhexan-2-one
SMILESO=C(Cc1ccccc1)CC(O)CCc1ccccc1
InChIInChI=1S/C18H20O2/c19-17(12-11-15-7-3-1-4-8-15)14-18(20)13-16-9-5-2-6-10-16/h1-10,17,19H,11-14H2
InChIKeyYSUOVCJQANDGMA-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
5-hydroxy-7-phenylhept-1-en-3-one
CID 71376612
6-hydroxy-8-phenyloct-2-en-4-one
CID 71376619
1,3-diphenyl(213C)propan-2-one
CID 100945080
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
S-tert-butyl (3S)-3-hydroxy-5-phenylpentanethioate
CID 10956476
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046
5-(chloromethyl)-1-phenylhex-5-en-3-ol
CID 15313184
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427
3-hydroxy-6-phenylhexanethioic S-acid
CID 87597942

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,6-diphenylhexan-2-one?
The IUPAC name of 4-hydroxy-1,6-diphenylhexan-2-one (CID 24881473) is 4-hydroxy-1,6-diphenylhexan-2-one.
What is the SMILES notation for 4-hydroxy-1,6-diphenylhexan-2-one?
The canonical SMILES for 4-hydroxy-1,6-diphenylhexan-2-one is O=C(Cc1ccccc1)CC(O)CCc1ccccc1.
What is the InChIKey of 4-hydroxy-1,6-diphenylhexan-2-one?
The InChIKey is YSUOVCJQANDGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c19-17(12-11-15-7-3-1-4-8-15)14-18(20)13-16-9-5-2-6-10-16/h1-10,17,19H,11-14H2.
What are the key properties of 4-hydroxy-1,6-diphenylhexan-2-one?
4-hydroxy-1,6-diphenylhexan-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,6-diphenylhexan-2-one is sourced from PubChem (CID 24881473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).