[1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol

C16H24O — CID 116842627

IUPAC[1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol
SMILESCCC(C)c1ccc(C2(CO)CC2(C)C)cc1
InChIInChI=1S/C16H24O/c1-5-12(2)13-6-8-14(9-7-13)16(11-17)10-15(16,3)4/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyWLDXTTGJJQOFKO-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.86
Rot. Bonds4

About [1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol

[1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol (PubChem CID 116842627) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is [1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol
PubChem CID116842627
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name[1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol
SMILESCCC(C)c1ccc(C2(CO)CC2(C)C)cc1
InChIInChI=1S/C16H24O/c1-5-12(2)13-6-8-14(9-7-13)16(11-17)10-15(16,3)4/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyWLDXTTGJJQOFKO-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanol
CID 116842604
[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 116842625
[2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol
CID 116842695
3-(4-butan-2-ylphenyl)oxetane-3-carboxamide
CID 116876145
[1-[(4-butan-2-yl-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243332
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide
CID 116846034
5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione
CID 82130700
1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116928741
1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine
CID 116963591
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-butan-2-yl-4-fluorobenzene
CID 11829648

Frequently Asked Questions

What is the IUPAC name of [1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol?
The IUPAC name of [1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol (CID 116842627) is [1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol.
What is the SMILES notation for [1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol?
The canonical SMILES for [1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol is CCC(C)c1ccc(C2(CO)CC2(C)C)cc1.
What is the InChIKey of [1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol?
The InChIKey is WLDXTTGJJQOFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-5-12(2)13-6-8-14(9-7-13)16(11-17)10-15(16,3)4/h6-9,12,17H,5,10-11H2,1-4H3.
What are the key properties of [1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol?
[1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol has a molecular weight of 232.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol is sourced from PubChem (CID 116842627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).