1-(7-bromo-1,2-benzoxazol-3-yl)ethanol

C9H8BrNO2 — CID 84703063

IUPAC1-(7-bromo-1,2-benzoxazol-3-yl)ethanol
SMILESCC(O)c1noc2c(Br)cccc12
InChIInChI=1S/C9H8BrNO2/c1-5(12)8-6-3-2-4-7(10)9(6)13-11-8/h2-5,12H,1H3
InChIKeyQQEGUIZYRTVXNT-UHFFFAOYSA-N
MW242.07 g/mol
LogP2.64
Rot. Bonds1

About 1-(7-bromo-1,2-benzoxazol-3-yl)ethanol

1-(7-bromo-1,2-benzoxazol-3-yl)ethanol (PubChem CID 84703063) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 1-(7-bromo-1,2-benzoxazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(7-bromo-1,2-benzoxazol-3-yl)ethanol
PubChem CID84703063
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name1-(7-bromo-1,2-benzoxazol-3-yl)ethanol
SMILESCC(O)c1noc2c(Br)cccc12
InChIInChI=1S/C9H8BrNO2/c1-5(12)8-6-3-2-4-7(10)9(6)13-11-8/h2-5,12H,1H3
InChIKeyQQEGUIZYRTVXNT-UHFFFAOYSA-N
XLogP2.64
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine
CID 84708451
7-bromo-3-(fluoromethyl)-1,2-benzoxazole
CID 84693211
7-bromo-3-(2-bromoethyl)-1,2-benzoxazole
CID 39097559
1-(2,6-dibromophenyl)ethanol
CID 117104086
3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one
CID 178166981
7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine
CID 84707795
3-propan-2-ylbenzo[g][1,2]benzoxazol-5-ol
CID 122589715
1-[3-(2-bromo-6-chlorophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596851
3-bromo-7-methyl-1,2-benzoxazole
CID 83835183
7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
CID 84711773
6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine
CID 178167058
(1S)-1-(2-bromophenyl)ethanol
CID 139073913

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,2-benzoxazol-3-yl)ethanol?
The IUPAC name of 1-(7-bromo-1,2-benzoxazol-3-yl)ethanol (CID 84703063) is 1-(7-bromo-1,2-benzoxazol-3-yl)ethanol.
What is the SMILES notation for 1-(7-bromo-1,2-benzoxazol-3-yl)ethanol?
The canonical SMILES for 1-(7-bromo-1,2-benzoxazol-3-yl)ethanol is CC(O)c1noc2c(Br)cccc12.
What is the InChIKey of 1-(7-bromo-1,2-benzoxazol-3-yl)ethanol?
The InChIKey is QQEGUIZYRTVXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c1-5(12)8-6-3-2-4-7(10)9(6)13-11-8/h2-5,12H,1H3.
What are the key properties of 1-(7-bromo-1,2-benzoxazol-3-yl)ethanol?
1-(7-bromo-1,2-benzoxazol-3-yl)ethanol has a molecular weight of 242.07 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,2-benzoxazol-3-yl)ethanol is sourced from PubChem (CID 84703063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).