3-(4-cyclobutylphenyl)-2-methylbutan-2-ol

C15H22O — CID 123497840

IUPAC3-(4-cyclobutylphenyl)-2-methylbutan-2-ol
SMILESCC(c1ccc(C2CCC2)cc1)C(C)(C)O
InChIInChI=1S/C15H22O/c1-11(15(2,3)16)12-7-9-14(10-8-12)13-5-4-6-13/h7-11,13,16H,4-6H2,1-3H3
InChIKeyPTFMYDJOVYKYCQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.83
Rot. Bonds3

About 3-(4-cyclobutylphenyl)-2-methylbutan-2-ol

3-(4-cyclobutylphenyl)-2-methylbutan-2-ol (PubChem CID 123497840) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(4-cyclobutylphenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(4-cyclobutylphenyl)-2-methylbutan-2-ol
PubChem CID123497840
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-(4-cyclobutylphenyl)-2-methylbutan-2-ol
SMILESCC(c1ccc(C2CCC2)cc1)C(C)(C)O
InChIInChI=1S/C15H22O/c1-11(15(2,3)16)12-7-9-14(10-8-12)13-5-4-6-13/h7-11,13,16H,4-6H2,1-3H3
InChIKeyPTFMYDJOVYKYCQ-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenyl-2-propanol
CID 12053
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
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2-Methyl-1-phenyl-2-propanol
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alpha-(2-Methylpropyl)benzeneethanol
CID 62661
2-Phenyl-1-propanol
CID 14295
p-Cymen-8-ol
CID 14529
1-Phenyl-2-pentanol
CID 61202
Benzeneethanol, 4-(1-methylethyl)-
CID 82349
Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
p-Bis(2-hydroxyisopropyl)benzene
CID 18062
4-Methylphenethyl alcohol
CID 95294

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutylphenyl)-2-methylbutan-2-ol?
The IUPAC name of 3-(4-cyclobutylphenyl)-2-methylbutan-2-ol (CID 123497840) is 3-(4-cyclobutylphenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(4-cyclobutylphenyl)-2-methylbutan-2-ol?
The canonical SMILES for 3-(4-cyclobutylphenyl)-2-methylbutan-2-ol is CC(c1ccc(C2CCC2)cc1)C(C)(C)O.
What is the InChIKey of 3-(4-cyclobutylphenyl)-2-methylbutan-2-ol?
The InChIKey is PTFMYDJOVYKYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(15(2,3)16)12-7-9-14(10-8-12)13-5-4-6-13/h7-11,13,16H,4-6H2,1-3H3.
What are the key properties of 3-(4-cyclobutylphenyl)-2-methylbutan-2-ol?
3-(4-cyclobutylphenyl)-2-methylbutan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutylphenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 123497840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).