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

C16H22O2 — CID 114601649

IUPAC1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol
SMILESCC(O)(c1cccc(C2CCC2)c1)C1CCOC1
InChIInChI=1S/C16H22O2/c1-16(17,15-8-9-18-11-15)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-7,10,12,15,17H,2,4-5,8-9,11H2,1H3
InChIKeyGFJOCSKAQUBGLJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.20
Rot. Bonds3

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

1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol (PubChem CID 114601649) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol
PubChem CID114601649
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol
SMILESCC(O)(c1cccc(C2CCC2)c1)C1CCOC1
InChIInChI=1S/C16H22O2/c1-16(17,15-8-9-18-11-15)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-7,10,12,15,17H,2,4-5,8-9,11H2,1H3
InChIKeyGFJOCSKAQUBGLJ-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol (CID 114601649) is 1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol is CC(O)(c1cccc(C2CCC2)c1)C1CCOC1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol?
The InChIKey is GFJOCSKAQUBGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-16(17,15-8-9-18-11-15)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-7,10,12,15,17H,2,4-5,8-9,11H2,1H3.
What are the key properties of 1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol?
1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol has a molecular weight of 246.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 114601649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).