2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol

C17H23NO2 — CID 66460866

IUPAC2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol
SMILESOC(Cc1nc2ccccc2o1)C1CCCCCCC1
InChIInChI=1S/C17H23NO2/c19-15(13-8-4-2-1-3-5-9-13)12-17-18-14-10-6-7-11-16(14)20-17/h6-7,10-11,13,15,19H,1-5,8-9,12H2
InChIKeyXEHQCILJASGUNP-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.09
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol

2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol (PubChem CID 66460866) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol
PubChem CID66460866
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol
SMILESOC(Cc1nc2ccccc2o1)C1CCCCCCC1
InChIInChI=1S/C17H23NO2/c19-15(13-8-4-2-1-3-5-9-13)12-17-18-14-10-6-7-11-16(14)20-17/h6-7,10-11,13,15,19H,1-5,8-9,12H2
InChIKeyXEHQCILJASGUNP-UHFFFAOYSA-N
XLogP4.09
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003662
2-(2-bromo-2-cyclopropylethyl)-1,3-benzoxazole
CID 66459218
2-[2-chloro-2-(oxolan-3-yl)ethyl]-1,3-benzoxazole
CID 66460338
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
2-(1,3-benzoxazol-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine
CID 104520107
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
CID 110747198
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
N-(1,3-benzoxazol-2-yl)-1-cyclohexylethane-1,2-diamine
CID 115309571
2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146038837
(1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol
CID 146169064
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol (CID 66460866) is 2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol is OC(Cc1nc2ccccc2o1)C1CCCCCCC1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol?
The InChIKey is XEHQCILJASGUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-15(13-8-4-2-1-3-5-9-13)12-17-18-14-10-6-7-11-16(14)20-17/h6-7,10-11,13,15,19H,1-5,8-9,12H2.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol?
2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol has a molecular weight of 273.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol is sourced from PubChem (CID 66460866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).