2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol

C15H22O2 — CID 106203994

IUPAC2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)COCCC2CCC2)c1
InChIInChI=1S/C15H22O2/c1-12-4-2-7-14(10-12)15(16)11-17-9-8-13-5-3-6-13/h2,4,7,10,13,15-16H,3,5-6,8-9,11H2,1H3
InChIKeyCRAUTUZSHLKNLL-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.24
Rot. Bonds6

About 2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol

2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol (PubChem CID 106203994) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol
PubChem CID106203994
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)COCCC2CCC2)c1
InChIInChI=1S/C15H22O2/c1-12-4-2-7-14(10-12)15(16)11-17-9-8-13-5-3-6-13/h2,4,7,10,13,15-16H,3,5-6,8-9,11H2,1H3
InChIKeyCRAUTUZSHLKNLL-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol
CID 106199970
1-(3-methylphenyl)-2-octoxyethanol
CID 55193418
2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine
CID 106200830
2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 106204040
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
(2S)-1-(2-cyclobutylethoxy)propan-2-ol
CID 106204019
(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
CID 65400122
2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine
CID 114157408
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
(4-butylcyclohexyl)-(3-methylphenyl)methanol
CID 114978020
1-(3-methylphenyl)-3-propoxypropan-1-ol
CID 105077821

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol (CID 106203994) is 2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)COCCC2CCC2)c1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol?
The InChIKey is CRAUTUZSHLKNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12-4-2-7-14(10-12)15(16)11-17-9-8-13-5-3-6-13/h2,4,7,10,13,15-16H,3,5-6,8-9,11H2,1H3.
What are the key properties of 2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol?
2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol has a molecular weight of 234.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 106203994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).