3,4-dimethyl-3,4-diphenylhexane-1,6-diol

C20H26O2 — CID 102025625

IUPAC3,4-dimethyl-3,4-diphenylhexane-1,6-diol
SMILESCC(CCO)(c1ccccc1)C(C)(CCO)c1ccccc1
InChIInChI=1S/C20H26O2/c1-19(13-15-21,17-9-5-3-6-10-17)20(2,14-16-22)18-11-7-4-8-12-18/h3-12,21-22H,13-16H2,1-2H3
InChIKeyZOARRIZBJFLGJC-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.67
Rot. Bonds7

About 3,4-dimethyl-3,4-diphenylhexane-1,6-diol

3,4-dimethyl-3,4-diphenylhexane-1,6-diol (PubChem CID 102025625) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3,4-dimethyl-3,4-diphenylhexane-1,6-diol.

Molecular Properties

Compound Name3,4-dimethyl-3,4-diphenylhexane-1,6-diol
PubChem CID102025625
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name3,4-dimethyl-3,4-diphenylhexane-1,6-diol
SMILESCC(CCO)(c1ccccc1)C(C)(CCO)c1ccccc1
InChIInChI=1S/C20H26O2/c1-19(13-15-21,17-9-5-3-6-10-17)20(2,14-16-22)18-11-7-4-8-12-18/h3-12,21-22H,13-16H2,1-2H3
InChIKeyZOARRIZBJFLGJC-UHFFFAOYSA-N
XLogP3.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-phenylpentane-1,5-diol
CID 3019682
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
4,4-dimethyl-3-phenylpentane-1,3-diol
CID 135018843
4-hydroxy-2-methyl-1,2-diphenylbutan-1-one
CID 172768651
(3S)-3-(methylamino)-3-phenylbutan-1-ol
CID 174606710
3-phenyl-3-trimethylsilylbutan-1-ol
CID 15889374
4-hydroxy-2-methyl-2-phenylbutanal
CID 88582805
5-methyl-3-phenylhex-5-ene-1,3-diol
CID 90346624
6-phenylheptane-1,6-diol
CID 11310303
(3R)-3-amino-3-phenylpentan-1-ol
CID 124509326
3-tritylpentane-1,3,5-triol
CID 139808221
[(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene
CID 158981757

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,4-diphenylhexane-1,6-diol?
The IUPAC name of 3,4-dimethyl-3,4-diphenylhexane-1,6-diol (CID 102025625) is 3,4-dimethyl-3,4-diphenylhexane-1,6-diol.
What is the SMILES notation for 3,4-dimethyl-3,4-diphenylhexane-1,6-diol?
The canonical SMILES for 3,4-dimethyl-3,4-diphenylhexane-1,6-diol is CC(CCO)(c1ccccc1)C(C)(CCO)c1ccccc1.
What is the InChIKey of 3,4-dimethyl-3,4-diphenylhexane-1,6-diol?
The InChIKey is ZOARRIZBJFLGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-19(13-15-21,17-9-5-3-6-10-17)20(2,14-16-22)18-11-7-4-8-12-18/h3-12,21-22H,13-16H2,1-2H3.
What are the key properties of 3,4-dimethyl-3,4-diphenylhexane-1,6-diol?
3,4-dimethyl-3,4-diphenylhexane-1,6-diol has a molecular weight of 298.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,4-diphenylhexane-1,6-diol is sourced from PubChem (CID 102025625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).