3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol

C16H24O — CID 100998579

IUPAC3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol
SMILESCC(C)(C)CC1(C)CC(O)(c2ccccc2)C1
InChIInChI=1S/C16H24O/c1-14(2,3)10-15(4)11-16(17,12-15)13-8-6-5-7-9-13/h5-9,17H,10-12H2,1-4H3
InChIKeyIILMUAJPADTJNL-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.11
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol

3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol (PubChem CID 100998579) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol
PubChem CID100998579
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol
SMILESCC(C)(C)CC1(C)CC(O)(c2ccccc2)C1
InChIInChI=1S/C16H24O/c1-14(2,3)10-15(4)11-16(17,12-15)13-8-6-5-7-9-13/h5-9,17H,10-12H2,1-4H3
InChIKeyIILMUAJPADTJNL-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 174029877
CID 174029877
ethane;1-phenylcyclohexan-1-ol
CID 144640846
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
azane;1-phenylcyclobutan-1-ol
CID 175547532
2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
CID 15579859
2-(2,2-dimethylpropyl)-2-phenylpyrrolidine
CID 115058598
4-amino-1-phenylcyclohexan-1-ol
CID 3039766
[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol
CID 162276045
copper;1-phenylcyclohexan-1-ol
CID 174727157
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
1,3-diphenyl-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 135017707
4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol
CID 141296456

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol?
The IUPAC name of 3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol (CID 100998579) is 3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol is CC(C)(C)CC1(C)CC(O)(c2ccccc2)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol?
The InChIKey is IILMUAJPADTJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-14(2,3)10-15(4)11-16(17,12-15)13-8-6-5-7-9-13/h5-9,17H,10-12H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol?
3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol is sourced from PubChem (CID 100998579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).