1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol

C13H17ClO — CID 115802584

IUPAC1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol
SMILESCc1ccc(Cl)cc1C(O)CC1CCC1
InChIInChI=1S/C13H17ClO/c1-9-5-6-11(14)8-12(9)13(15)7-10-3-2-4-10/h5-6,8,10,13,15H,2-4,7H2,1H3
InChIKeyOOZBQVOTDABYEJ-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.87
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol

1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol (PubChem CID 115802584) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol
PubChem CID115802584
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol
SMILESCc1ccc(Cl)cc1C(O)CC1CCC1
InChIInChI=1S/C13H17ClO/c1-9-5-6-11(14)8-12(9)13(15)7-10-3-2-4-10/h5-6,8,10,13,15H,2-4,7H2,1H3
InChIKeyOOZBQVOTDABYEJ-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
CID 66156275
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
CID 63083124
1-(2-bromo-5-chlorophenyl)-2-cyclopropylethanol
CID 112630970
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 103165429
1-(5-chloro-2-methoxyphenyl)-2-(thian-4-yl)ethanol
CID 105092179
1-(2-chloro-4,5-difluorophenyl)-2-cyclobutylethanol
CID 107477114
1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789681
1-(4-bromo-2,5-dimethylphenyl)-2-cycloheptylethanol
CID 114458586

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol (CID 115802584) is 1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol is Cc1ccc(Cl)cc1C(O)CC1CCC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol?
The InChIKey is OOZBQVOTDABYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-9-5-6-11(14)8-12(9)13(15)7-10-3-2-4-10/h5-6,8,10,13,15H,2-4,7H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol?
1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol has a molecular weight of 224.73 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol is sourced from PubChem (CID 115802584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).