2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol

C14H17NO2 — CID 107003662

IUPAC2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol
SMILESCC1(C)CC1C(O)Cc1nc2ccccc2o1
InChIInChI=1S/C14H17NO2/c1-14(2)8-9(14)11(16)7-13-15-10-5-3-4-6-12(10)17-13/h3-6,9,11,16H,7-8H2,1-2H3
InChIKeyGVGJSEHKQMDKAS-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.78
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol

2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol (PubChem CID 107003662) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol
PubChem CID107003662
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol
SMILESCC1(C)CC1C(O)Cc1nc2ccccc2o1
InChIInChI=1S/C14H17NO2/c1-14(2)8-9(14)11(16)7-13-15-10-5-3-4-6-12(10)17-13/h3-6,9,11,16H,7-8H2,1-2H3
InChIKeyGVGJSEHKQMDKAS-UHFFFAOYSA-N
XLogP2.78
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol (CID 107003662) is 2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol is CC1(C)CC1C(O)Cc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol?
The InChIKey is GVGJSEHKQMDKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2)8-9(14)11(16)7-13-15-10-5-3-4-6-12(10)17-13/h3-6,9,11,16H,7-8H2,1-2H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol?
2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol has a molecular weight of 231.29 g/mol, XLogP of 2.78, 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-(2,2-dimethylcyclopropyl)ethanol is sourced from PubChem (CID 107003662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).