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

C9H9NO2 — CID 14576090

IUPAC1-(1,3-benzoxazol-2-yl)ethanol
SMILESCC(O)c1nc2ccccc2o1
InChIInChI=1S/C9H9NO2/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-6,11H,1H3
InChIKeyVWZPVYDIHHKSEE-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.88
Rot. Bonds1

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

1-(1,3-benzoxazol-2-yl)ethanol (PubChem CID 14576090) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)ethanol
PubChem CID14576090
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1-(1,3-benzoxazol-2-yl)ethanol
SMILESCC(O)c1nc2ccccc2o1
InChIInChI=1S/C9H9NO2/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-6,11H,1H3
InChIKeyVWZPVYDIHHKSEE-UHFFFAOYSA-N
XLogP1.88
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)ethanol?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)ethanol (CID 14576090) is 1-(1,3-benzoxazol-2-yl)ethanol.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)ethanol?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)ethanol is CC(O)c1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)ethanol?
The InChIKey is VWZPVYDIHHKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-6,11H,1H3.
What are the key properties of 1-(1,3-benzoxazol-2-yl)ethanol?
1-(1,3-benzoxazol-2-yl)ethanol has a molecular weight of 163.18 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)ethanol is sourced from PubChem (CID 14576090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).