2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol

C11H13NO2 — CID 117282353

IUPAC2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol
SMILESCc1noc2cc(C(C)(C)O)ccc12
InChIInChI=1S/C11H13NO2/c1-7-9-5-4-8(11(2,3)13)6-10(9)14-12-7/h4-6,13H,1-3H3
InChIKeyMHYPUWSLZFQQLW-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.36
Rot. Bonds1

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

2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol (PubChem CID 117282353) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol
PubChem CID117282353
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol
SMILESCc1noc2cc(C(C)(C)O)ccc12
InChIInChI=1S/C11H13NO2/c1-7-9-5-4-8(11(2,3)13)6-10(9)14-12-7/h4-6,13H,1-3H3
InChIKeyMHYPUWSLZFQQLW-UHFFFAOYSA-N
XLogP2.36
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol?
The IUPAC name of 2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol (CID 117282353) is 2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol.
What is the SMILES notation for 2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol?
The canonical SMILES for 2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol is Cc1noc2cc(C(C)(C)O)ccc12.
What is the InChIKey of 2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol?
The InChIKey is MHYPUWSLZFQQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-9-5-4-8(11(2,3)13)6-10(9)14-12-7/h4-6,13H,1-3H3.
What are the key properties of 2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol?
2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol has a molecular weight of 191.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol is sourced from PubChem (CID 117282353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).