2-(4-tert-butylphenyl)-1-cyclopropylethanol

C15H22O — CID 62608769

IUPAC2-(4-tert-butylphenyl)-1-cyclopropylethanol
SMILESCC(C)(C)c1ccc(CC(O)C2CC2)cc1
InChIInChI=1S/C15H22O/c1-15(2,3)13-8-4-11(5-9-13)10-14(16)12-6-7-12/h4-5,8-9,12,14,16H,6-7,10H2,1-3H3
InChIKeyLVFLBVPKMUXSSU-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.30
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-cyclopropylethanol

2-(4-tert-butylphenyl)-1-cyclopropylethanol (PubChem CID 62608769) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-cyclopropylethanol
PubChem CID62608769
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-(4-tert-butylphenyl)-1-cyclopropylethanol
SMILESCC(C)(C)c1ccc(CC(O)C2CC2)cc1
InChIInChI=1S/C15H22O/c1-15(2,3)13-8-4-11(5-9-13)10-14(16)12-6-7-12/h4-5,8-9,12,14,16H,6-7,10H2,1-3H3
InChIKeyLVFLBVPKMUXSSU-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
CID 39236667
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269
2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410677
1-cyclobutyl-2-(4-ethylphenyl)ethanol
CID 64986891
2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192147
1-cyclopropyl-2-pyridin-4-ylethanol
CID 63352817
1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 65410943
3-(4-tert-butylphenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103455668
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
1-cyclohexyl-2-(4-propan-2-ylphenyl)ethanol
CID 63410841
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-cyclopropylethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-cyclopropylethanol (CID 62608769) is 2-(4-tert-butylphenyl)-1-cyclopropylethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-cyclopropylethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-cyclopropylethanol is CC(C)(C)c1ccc(CC(O)C2CC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-cyclopropylethanol?
The InChIKey is LVFLBVPKMUXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-15(2,3)13-8-4-11(5-9-13)10-14(16)12-6-7-12/h4-5,8-9,12,14,16H,6-7,10H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-cyclopropylethanol?
2-(4-tert-butylphenyl)-1-cyclopropylethanol has a molecular weight of 218.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-cyclopropylethanol is sourced from PubChem (CID 62608769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).