3-methoxy-1,1-diphenylbutan-1-ol

C17H20O2 — CID 13380056

IUPAC3-methoxy-1,1-diphenylbutan-1-ol
SMILESCOC(C)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-14(19-2)13-17(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3
InChIKeyCXOVGTNIJCEYJS-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.35
Rot. Bonds5

About 3-methoxy-1,1-diphenylbutan-1-ol

3-methoxy-1,1-diphenylbutan-1-ol (PubChem CID 13380056) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methoxy-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1,1-diphenylbutan-1-ol
PubChem CID13380056
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name3-methoxy-1,1-diphenylbutan-1-ol
SMILESCOC(C)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-14(19-2)13-17(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3
InChIKeyCXOVGTNIJCEYJS-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1,2-diphenylpentane-1,1,2-triol
CID 175111370
(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
CID 129362138
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
CID 134904157
CID 134904157
3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride
CID 3060750
CID 136819313
CID 136819313
3,5-dihydroxy-5,5-diphenylpentanenitrile
CID 102249687
(1S)-1-methoxy-1-phenylethanol
CID 141414609
1-methoxy-3-methyl-2-phenylpentan-2-ol
CID 103465659
3-methoxy-2-methyl-2-phenylpentanoic acid
CID 175507222
1-(1,3-dihydroxy-1-phenylbutoxy)-1-phenylbutane-1,3-diol
CID 173407184
3-methoxy-2-methyl-2-phenylbutane-1,1,1-triol
CID 175119768

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,1-diphenylbutan-1-ol?
The IUPAC name of 3-methoxy-1,1-diphenylbutan-1-ol (CID 13380056) is 3-methoxy-1,1-diphenylbutan-1-ol.
What is the SMILES notation for 3-methoxy-1,1-diphenylbutan-1-ol?
The canonical SMILES for 3-methoxy-1,1-diphenylbutan-1-ol is COC(C)CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methoxy-1,1-diphenylbutan-1-ol?
The InChIKey is CXOVGTNIJCEYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-14(19-2)13-17(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3.
What are the key properties of 3-methoxy-1,1-diphenylbutan-1-ol?
3-methoxy-1,1-diphenylbutan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 13380056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).