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

C9H9NO3 — CID 130837155

IUPAC(6-methoxy-1,3-benzoxazol-2-yl)methanol
SMILESCOc1ccc2nc(CO)oc2c1
InChIInChI=1S/C9H9NO3/c1-12-6-2-3-7-8(4-6)13-9(5-11)10-7/h2-4,11H,5H2,1H3
InChIKeyNNUWSCWEFZWLEV-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.33
Rot. Bonds2

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

(6-methoxy-1,3-benzoxazol-2-yl)methanol (PubChem CID 130837155) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is (6-methoxy-1,3-benzoxazol-2-yl)methanol.

Molecular Properties

Compound Name(6-methoxy-1,3-benzoxazol-2-yl)methanol
PubChem CID130837155
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name(6-methoxy-1,3-benzoxazol-2-yl)methanol
SMILESCOc1ccc2nc(CO)oc2c1
InChIInChI=1S/C9H9NO3/c1-12-6-2-3-7-8(4-6)13-9(5-11)10-7/h2-4,11H,5H2,1H3
InChIKeyNNUWSCWEFZWLEV-UHFFFAOYSA-N
XLogP1.33
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 102696419
4-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]aniline
CID 102696265
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
CID 146454064
2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline
CID 102696273
2-ethoxy-6-methoxy-1,3-benzoxazole
CID 130837090
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696512
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837480
2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 102696213
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,3-benzoxazol-2-yl)methanol?
The IUPAC name of (6-methoxy-1,3-benzoxazol-2-yl)methanol (CID 130837155) is (6-methoxy-1,3-benzoxazol-2-yl)methanol.
What is the SMILES notation for (6-methoxy-1,3-benzoxazol-2-yl)methanol?
The canonical SMILES for (6-methoxy-1,3-benzoxazol-2-yl)methanol is COc1ccc2nc(CO)oc2c1.
What is the InChIKey of (6-methoxy-1,3-benzoxazol-2-yl)methanol?
The InChIKey is NNUWSCWEFZWLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-12-6-2-3-7-8(4-6)13-9(5-11)10-7/h2-4,11H,5H2,1H3.
What are the key properties of (6-methoxy-1,3-benzoxazol-2-yl)methanol?
(6-methoxy-1,3-benzoxazol-2-yl)methanol has a molecular weight of 179.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,3-benzoxazol-2-yl)methanol is sourced from PubChem (CID 130837155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).