2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol

C23H30O — CID 4068699

IUPAC2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
SMILESCCC(C)(C1CCCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O/c1-3-22(2,19-13-7-4-8-14-19)23(24,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h5-6,9-12,15-19,24H,3-4,7-8,13-14H2,1-2H3
InChIKeyIDSWJLYOJWDYGQ-UHFFFAOYSA-N
MW322.49 g/mol
LogP5.92
Rot. Bonds5

About 2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol

2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol (PubChem CID 4068699) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
PubChem CID4068699
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
SMILESCCC(C)(C1CCCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O/c1-3-22(2,19-13-7-4-8-14-19)23(24,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h5-6,9-12,15-19,24H,3-4,7-8,13-14H2,1-2H3
InChIKeyIDSWJLYOJWDYGQ-UHFFFAOYSA-N
XLogP5.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol?
The IUPAC name of 2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol (CID 4068699) is 2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol.
What is the SMILES notation for 2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol?
The canonical SMILES for 2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol is CCC(C)(C1CCCCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol?
The InChIKey is IDSWJLYOJWDYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-3-22(2,19-13-7-4-8-14-19)23(24,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h5-6,9-12,15-19,24H,3-4,7-8,13-14H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol?
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol has a molecular weight of 322.49 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 4068699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).