2-(hydroxymethyl)-1,3-benzoxazol-7-ol

C8H7NO3 — CID 130894821

IUPAC2-(hydroxymethyl)-1,3-benzoxazol-7-ol
SMILESOCc1nc2cccc(O)c2o1
InChIInChI=1S/C8H7NO3/c10-4-7-9-5-2-1-3-6(11)8(5)12-7/h1-3,10-11H,4H2
InChIKeyJHSCTBWUXMKKGK-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.03
Rot. Bonds1

About 2-(hydroxymethyl)-1,3-benzoxazol-7-ol

2-(hydroxymethyl)-1,3-benzoxazol-7-ol (PubChem CID 130894821) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,3-benzoxazol-7-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,3-benzoxazol-7-ol
PubChem CID130894821
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name2-(hydroxymethyl)-1,3-benzoxazol-7-ol
SMILESOCc1nc2cccc(O)c2o1
InChIInChI=1S/C8H7NO3/c10-4-7-9-5-2-1-3-6(11)8(5)12-7/h1-3,10-11H,4H2
InChIKeyJHSCTBWUXMKKGK-UHFFFAOYSA-N
XLogP1.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7-chloro-1,3-benzoxazol-2-yl)methanol
CID 130132807
(7-iodo-1,3-benzoxazol-2-yl)methanol
CID 131052024
[7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol
CID 131092416
2-bromo-1-[2-(hydroxymethyl)-1,3-benzoxazol-7-yl]ethanone
CID 131319792
2-chloro-1,3-benzoxazol-7-ol
CID 18967117
ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate
CID 102591089
(2-benzyl-1,3-benzoxazol-7-yl)methanol
CID 76851596
2-(trifluoromethyl)-1,3-benzoxazol-7-ol
CID 84671213
1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone
CID 119005497
2-(2-methylphenyl)-1,3-benzoxazol-7-ol
CID 84689691
2-(aminomethyl)-1,3-benzoxazole-7-carboxamide
CID 118853991
2-ethyl-1,3-benzoxazol-7-amine
CID 28752253

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,3-benzoxazol-7-ol?
The IUPAC name of 2-(hydroxymethyl)-1,3-benzoxazol-7-ol (CID 130894821) is 2-(hydroxymethyl)-1,3-benzoxazol-7-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1,3-benzoxazol-7-ol?
The canonical SMILES for 2-(hydroxymethyl)-1,3-benzoxazol-7-ol is OCc1nc2cccc(O)c2o1.
What is the InChIKey of 2-(hydroxymethyl)-1,3-benzoxazol-7-ol?
The InChIKey is JHSCTBWUXMKKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-4-7-9-5-2-1-3-6(11)8(5)12-7/h1-3,10-11H,4H2.
What are the key properties of 2-(hydroxymethyl)-1,3-benzoxazol-7-ol?
2-(hydroxymethyl)-1,3-benzoxazol-7-ol has a molecular weight of 165.15 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,3-benzoxazol-7-ol is sourced from PubChem (CID 130894821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).