2-(4-tert-butylphenyl)cyclopropan-1-ol

C13H18O — CID 142590960

IUPAC2-(4-tert-butylphenyl)cyclopropan-1-ol
SMILESCC(C)(C)c1ccc(C2CC2O)cc1
InChIInChI=1S/C13H18O/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12,14H,8H2,1-3H3
InChIKeyNDIWCRPPXBUOIA-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.83
Rot. Bonds1

About 2-(4-tert-butylphenyl)cyclopropan-1-ol

2-(4-tert-butylphenyl)cyclopropan-1-ol (PubChem CID 142590960) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)cyclopropan-1-ol
PubChem CID142590960
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-(4-tert-butylphenyl)cyclopropan-1-ol
SMILESCC(C)(C)c1ccc(C2CC2O)cc1
InChIInChI=1S/C13H18O/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12,14H,8H2,1-3H3
InChIKeyNDIWCRPPXBUOIA-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene
CID 67776684
1-tert-butyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene
CID 67951112
1-tert-butyl-4-(2-fluorocyclopropyl)benzene
CID 134860876
2-(4-tert-butylphenyl)cyclopropan-1-amine
CID 43810325
[2-(4-tert-butylphenyl)cyclopropyl]methanamine
CID 62708884
[2-(4-tert-butylphenyl)cyclopropyl] acetate
CID 175297807
4-(4-tert-butylphenyl)cyclohexan-1-ol
CID 116963195
2-(4-tert-butylphenyl)adamantane
CID 13047727
2-(4-aminophenyl)cyclopropan-1-ol
CID 115011767
2-(4-tert-butylphenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81013243
5-(4-tert-butylphenyl)-2-azabicyclo[2.2.2]octane
CID 171466221
1-[(1S,4S,5S)-5-(4-tert-butylphenyl)-2-azabicyclo[2.2.1]heptan-2-yl]ethanone
CID 171466208

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)cyclopropan-1-ol?
The IUPAC name of 2-(4-tert-butylphenyl)cyclopropan-1-ol (CID 142590960) is 2-(4-tert-butylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)cyclopropan-1-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)cyclopropan-1-ol is CC(C)(C)c1ccc(C2CC2O)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)cyclopropan-1-ol?
The InChIKey is NDIWCRPPXBUOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12,14H,8H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)cyclopropan-1-ol?
2-(4-tert-butylphenyl)cyclopropan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 142590960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).