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

C15H22O — CID 115804027

IUPAC1-(2-tert-butylphenyl)-2-cyclopropylethanol
SMILESCC(C)(C)c1ccccc1C(O)CC1CC1
InChIInChI=1S/C15H22O/c1-15(2,3)13-7-5-4-6-12(13)14(16)10-11-8-9-11/h4-7,11,14,16H,8-10H2,1-3H3
InChIKeyLVXMIYQJELGHKB-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.82
Rot. Bonds3

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

1-(2-tert-butylphenyl)-2-cyclopropylethanol (PubChem CID 115804027) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2-cyclopropylethanol.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-2-cyclopropylethanol
PubChem CID115804027
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(2-tert-butylphenyl)-2-cyclopropylethanol
SMILESCC(C)(C)c1ccccc1C(O)CC1CC1
InChIInChI=1S/C15H22O/c1-15(2,3)13-7-5-4-6-12(13)14(16)10-11-8-9-11/h4-7,11,14,16H,8-10H2,1-3H3
InChIKeyLVXMIYQJELGHKB-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-(2-tert-butylphenyl)ethanol
CID 18627964
N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986526
1-(2-tert-butylphenyl)-5-methylhexan-1-ol
CID 115829952
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
2-cyclopentyl-1-(2-ethylphenyl)ethanol
CID 65150347
2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol
CID 114977195
1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol
CID 107103370
2-cyclobutyl-1-(2-fluorophenyl)ethanol
CID 65458117
(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol
CID 170551631
1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789811
1-(2-tert-butylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831158
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
CID 115778732

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-2-cyclopropylethanol?
The IUPAC name of 1-(2-tert-butylphenyl)-2-cyclopropylethanol (CID 115804027) is 1-(2-tert-butylphenyl)-2-cyclopropylethanol.
What is the SMILES notation for 1-(2-tert-butylphenyl)-2-cyclopropylethanol?
The canonical SMILES for 1-(2-tert-butylphenyl)-2-cyclopropylethanol is CC(C)(C)c1ccccc1C(O)CC1CC1.
What is the InChIKey of 1-(2-tert-butylphenyl)-2-cyclopropylethanol?
The InChIKey is LVXMIYQJELGHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-15(2,3)13-7-5-4-6-12(13)14(16)10-11-8-9-11/h4-7,11,14,16H,8-10H2,1-3H3.
What are the key properties of 1-(2-tert-butylphenyl)-2-cyclopropylethanol?
1-(2-tert-butylphenyl)-2-cyclopropylethanol has a molecular weight of 218.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-2-cyclopropylethanol is sourced from PubChem (CID 115804027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).