2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol

C16H24O — CID 116505450

IUPAC2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H24O/c1-15(2,3)16(4,17)14-10-8-13(9-11-14)12-6-5-7-12/h8-12,17H,5-7H2,1-4H3
InChIKeyMUEAYQDRXHHAQK-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.21
Rot. Bonds2

About 2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol

2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol (PubChem CID 116505450) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
PubChem CID116505450
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H24O/c1-15(2,3)16(4,17)14-10-8-13(9-11-14)12-6-5-7-12/h8-12,17H,5-7H2,1-4H3
InChIKeyMUEAYQDRXHHAQK-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
2-(4-cyclobutylphenyl)-1-cyclopropylpropan-2-ol
CID 116505508
1-(4-cyclopropylphenyl)ethane-1,1-diol
CID 91219710
2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol
CID 116505399
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
CID 116507022
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021
1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol
CID 116505257
3-(4-cyclobutylphenyl)-2-methylbutan-2-ol
CID 123497840

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol (CID 116505450) is 2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(C)(O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is MUEAYQDRXHHAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-15(2,3)16(4,17)14-10-8-13(9-11-14)12-6-5-7-12/h8-12,17H,5-7H2,1-4H3.
What are the key properties of 2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol?
2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 232.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 116505450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).