1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol

C16H22O2 — CID 114602446

IUPAC1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol
SMILESOC(CC1CCOC1)c1ccccc1C1CCC1
InChIInChI=1S/C16H22O2/c17-16(10-12-8-9-18-11-12)15-7-2-1-6-14(15)13-4-3-5-13/h1-2,6-7,12-13,16-17H,3-5,8-11H2
InChIKeyKOFAQCHGXLMJKU-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.41
Rot. Bonds4

About 1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol

1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol (PubChem CID 114602446) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol
PubChem CID114602446
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol
SMILESOC(CC1CCOC1)c1ccccc1C1CCC1
InChIInChI=1S/C16H22O2/c17-16(10-12-8-9-18-11-12)15-7-2-1-6-14(15)13-4-3-5-13/h1-2,6-7,12-13,16-17H,3-5,8-11H2
InChIKeyKOFAQCHGXLMJKU-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986373
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol
CID 102831550
1-(2-cyclobutylphenyl)-3-phenylpropan-1-ol
CID 114601312
1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986582
1-naphthalen-2-yl-2-(oxolan-3-yl)ethanol
CID 113362057
N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 114603367
(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939856
1-(4-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986410
[2-cyclobutyl-1-(2-cyclobutylphenyl)ethyl]hydrazine
CID 103170854
1-(2-cyclobutylphenyl)-3-(furan-2-yl)propan-1-ol
CID 105131741
3-(2-cyclopropylphenyl)-3-hydroxypropanal
CID 114795310

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol?
The IUPAC name of 1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol (CID 114602446) is 1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol?
The canonical SMILES for 1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol is OC(CC1CCOC1)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol?
The InChIKey is KOFAQCHGXLMJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-16(10-12-8-9-18-11-12)15-7-2-1-6-14(15)13-4-3-5-13/h1-2,6-7,12-13,16-17H,3-5,8-11H2.
What are the key properties of 1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol?
1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol has a molecular weight of 246.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol is sourced from PubChem (CID 114602446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).