2,3-dimethyl-1,1-diphenylbutane-2,3-diol

C18H22O2 — CID 141069653

IUPAC2,3-dimethyl-1,1-diphenylbutane-2,3-diol
SMILESCC(C)(O)C(C)(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2/c1-17(2,19)18(3,20)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,19-20H,1-3H3
InChIKeyVHPAENYEAPCQPC-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.34
Rot. Bonds4

About 2,3-dimethyl-1,1-diphenylbutane-2,3-diol

2,3-dimethyl-1,1-diphenylbutane-2,3-diol (PubChem CID 141069653) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,3-dimethyl-1,1-diphenylbutane-2,3-diol.

Molecular Properties

Compound Name2,3-dimethyl-1,1-diphenylbutane-2,3-diol
PubChem CID141069653
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2,3-dimethyl-1,1-diphenylbutane-2,3-diol
SMILESCC(C)(O)C(C)(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2/c1-17(2,19)18(3,20)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,19-20H,1-3H3
InChIKeyVHPAENYEAPCQPC-UHFFFAOYSA-N
XLogP3.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
(1R,2S)-2,3,3-trimethyl-1-phenylbutane-1,2-diol
CID 10774737
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
2-amino-3-phenylbutan-2-ol
CID 68615274
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
(2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene
CID 173440563
(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol
CID 102279289
2-methyl-1,1-diphenyl-3-(propylamino)propan-2-ol
CID 62773138
2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde
CID 174744988
(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
CID 10559714
cumene;2-hydroperoxypropan-2-ol
CID 175197526

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,1-diphenylbutane-2,3-diol?
The IUPAC name of 2,3-dimethyl-1,1-diphenylbutane-2,3-diol (CID 141069653) is 2,3-dimethyl-1,1-diphenylbutane-2,3-diol.
What is the SMILES notation for 2,3-dimethyl-1,1-diphenylbutane-2,3-diol?
The canonical SMILES for 2,3-dimethyl-1,1-diphenylbutane-2,3-diol is CC(C)(O)C(C)(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-dimethyl-1,1-diphenylbutane-2,3-diol?
The InChIKey is VHPAENYEAPCQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-17(2,19)18(3,20)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,19-20H,1-3H3.
What are the key properties of 2,3-dimethyl-1,1-diphenylbutane-2,3-diol?
2,3-dimethyl-1,1-diphenylbutane-2,3-diol has a molecular weight of 270.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,1-diphenylbutane-2,3-diol is sourced from PubChem (CID 141069653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).