2-methyl-1,2-diphenylbutan-1-olate

C17H19O- — CID 5144156

IUPAC2-methyl-1,2-diphenylbutan-1-olate
SMILESCCC(C)(c1ccccc1)C([O-])c1ccccc1
InChIInChI=1S/C17H19O/c1-3-17(2,15-12-8-5-9-13-15)16(18)14-10-6-4-7-11-14/h4-13,16H,3H2,1-2H3/q-1
InChIKeyQHACIPGLFMXNGY-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.46
Rot. Bonds4

About 2-methyl-1,2-diphenylbutan-1-olate

2-methyl-1,2-diphenylbutan-1-olate (PubChem CID 5144156) has the molecular formula C17H19O- and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-1,2-diphenylbutan-1-olate.

Molecular Properties

Compound Name2-methyl-1,2-diphenylbutan-1-olate
PubChem CID5144156
Molecular FormulaC17H19O-
Molecular Weight239.34 g/mol
Exact Mass239.14
IUPAC Name2-methyl-1,2-diphenylbutan-1-olate
SMILESCCC(C)(c1ccccc1)C([O-])c1ccccc1
InChIInChI=1S/C17H19O/c1-3-17(2,15-12-8-5-9-13-15)16(18)14-10-6-4-7-11-14/h4-13,16H,3H2,1-2H3/q-1
InChIKeyQHACIPGLFMXNGY-UHFFFAOYSA-N
XLogP3.46
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methylpentan-3-ylbenzene
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diphenylmethanolate
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2,2-dimethyl-3,3-diphenylpropan-1-ol
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(4-methyl-4-phenylhexan-3-yl) acetate
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3,3,4,5,5-pentamethylheptan-4-ylbenzene
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2,3,5-trimethylhexan-3-ylbenzene
CID 123149580
1,3-bis(2-phenylbutan-2-yl)benzene;methane
CID 144908035
3-methyl-2,3-diphenylpentanedioic acid
CID 175851061
sodium diphenylmethanolate
CID 22420719
2-methyl-N-(2-phenylpropyl)butan-2-amine
CID 17207092
1-phenylpropan-1-ol;2-phenylpropan-2-ol
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1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene
CID 101326642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-diphenylbutan-1-olate?
The IUPAC name of 2-methyl-1,2-diphenylbutan-1-olate (CID 5144156) is 2-methyl-1,2-diphenylbutan-1-olate.
What is the SMILES notation for 2-methyl-1,2-diphenylbutan-1-olate?
The canonical SMILES for 2-methyl-1,2-diphenylbutan-1-olate is CCC(C)(c1ccccc1)C([O-])c1ccccc1.
What is the InChIKey of 2-methyl-1,2-diphenylbutan-1-olate?
The InChIKey is QHACIPGLFMXNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O/c1-3-17(2,15-12-8-5-9-13-15)16(18)14-10-6-4-7-11-14/h4-13,16H,3H2,1-2H3/q-1.
What are the key properties of 2-methyl-1,2-diphenylbutan-1-olate?
2-methyl-1,2-diphenylbutan-1-olate has a molecular weight of 239.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-diphenylbutan-1-olate is sourced from PubChem (CID 5144156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).