4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol

C15H13NO4 — CID 135784125

IUPAC4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol
SMILESOCc1cc(-c2nc3ccccc3o2)cc(CO)c1O
InChIInChI=1S/C15H13NO4/c17-7-10-5-9(6-11(8-18)14(10)19)15-16-12-3-1-2-4-13(12)20-15/h1-6,17-19H,7-8H2
InChIKeyUSWYLKCCXOZOEY-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.18
Rot. Bonds3

About 4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol

4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol (PubChem CID 135784125) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol
PubChem CID135784125
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol
SMILESOCc1cc(-c2nc3ccccc3o2)cc(CO)c1O
InChIInChI=1S/C15H13NO4/c17-7-10-5-9(6-11(8-18)14(10)19)15-16-12-3-1-2-4-13(12)20-15/h1-6,17-19H,7-8H2
InChIKeyUSWYLKCCXOZOEY-UHFFFAOYSA-N
XLogP2.18
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole
CID 129148229
2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile
CID 10149217
[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
CID 58057288
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 157124989
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-1-yl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 130440894

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol (CID 135784125) is 4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol is OCc1cc(-c2nc3ccccc3o2)cc(CO)c1O.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol?
The InChIKey is USWYLKCCXOZOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-7-10-5-9(6-11(8-18)14(10)19)15-16-12-3-1-2-4-13(12)20-15/h1-6,17-19H,7-8H2.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol?
4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol has a molecular weight of 271.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 135784125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).