(6-methyl-1,3-benzoxazol-2-yl)methanol

C9H9NO2 — CID 83383747

IUPAC(6-methyl-1,3-benzoxazol-2-yl)methanol
SMILESCc1ccc2nc(CO)oc2c1
InChIInChI=1S/C9H9NO2/c1-6-2-3-7-8(4-6)12-9(5-11)10-7/h2-4,11H,5H2,1H3
InChIKeyCBAZATSITUXGFR-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.63
Rot. Bonds1

About (6-methyl-1,3-benzoxazol-2-yl)methanol

(6-methyl-1,3-benzoxazol-2-yl)methanol (PubChem CID 83383747) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (6-methyl-1,3-benzoxazol-2-yl)methanol.

Molecular Properties

Compound Name(6-methyl-1,3-benzoxazol-2-yl)methanol
PubChem CID83383747
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(6-methyl-1,3-benzoxazol-2-yl)methanol
SMILESCc1ccc2nc(CO)oc2c1
InChIInChI=1S/C9H9NO2/c1-6-2-3-7-8(4-6)12-9(5-11)10-7/h2-4,11H,5H2,1H3
InChIKeyCBAZATSITUXGFR-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,3-benzoxazol-2-yl)methanol?
The IUPAC name of (6-methyl-1,3-benzoxazol-2-yl)methanol (CID 83383747) is (6-methyl-1,3-benzoxazol-2-yl)methanol.
What is the SMILES notation for (6-methyl-1,3-benzoxazol-2-yl)methanol?
The canonical SMILES for (6-methyl-1,3-benzoxazol-2-yl)methanol is Cc1ccc2nc(CO)oc2c1.
What is the InChIKey of (6-methyl-1,3-benzoxazol-2-yl)methanol?
The InChIKey is CBAZATSITUXGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-2-3-7-8(4-6)12-9(5-11)10-7/h2-4,11H,5H2,1H3.
What are the key properties of (6-methyl-1,3-benzoxazol-2-yl)methanol?
(6-methyl-1,3-benzoxazol-2-yl)methanol has a molecular weight of 163.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,3-benzoxazol-2-yl)methanol is sourced from PubChem (CID 83383747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).