[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol

C14H11NO3 — CID 79869656

IUPAC[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol
SMILESOCc1cccc(Oc2nc3ccccc3o2)c1
InChIInChI=1S/C14H11NO3/c16-9-10-4-3-5-11(8-10)17-14-15-12-6-1-2-7-13(12)18-14/h1-8,16H,9H2
InChIKeyOVBYLYYFLQUPST-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.11
Rot. Bonds3

About [3-(1,3-benzoxazol-2-yloxy)phenyl]methanol

[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol (PubChem CID 79869656) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is [3-(1,3-benzoxazol-2-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol
PubChem CID79869656
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol
SMILESOCc1cccc(Oc2nc3ccccc3o2)c1
InChIInChI=1S/C14H11NO3/c16-9-10-4-3-5-11(8-10)17-14-15-12-6-1-2-7-13(12)18-14/h1-8,16H,9H2
InChIKeyOVBYLYYFLQUPST-UHFFFAOYSA-N
XLogP3.11
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
CID 61395477
2-(3-ethylphenoxy)-1,3-benzoxazole-6-carboxylic acid
CID 116690133
2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole
CID 145224896
2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole
CID 682803
4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol
CID 154645805
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726
[3-(2-methylquinolin-4-yl)oxyphenyl]methanol
CID 79869243
5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid
CID 63850200
2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole
CID 47079119
3-(1,3-benzoxazol-2-yloxy)-5-bromoaniline
CID 103589190
[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol
CID 79869654
[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
CID 58057288

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazol-2-yloxy)phenyl]methanol?
The IUPAC name of [3-(1,3-benzoxazol-2-yloxy)phenyl]methanol (CID 79869656) is [3-(1,3-benzoxazol-2-yloxy)phenyl]methanol.
What is the SMILES notation for [3-(1,3-benzoxazol-2-yloxy)phenyl]methanol?
The canonical SMILES for [3-(1,3-benzoxazol-2-yloxy)phenyl]methanol is OCc1cccc(Oc2nc3ccccc3o2)c1.
What is the InChIKey of [3-(1,3-benzoxazol-2-yloxy)phenyl]methanol?
The InChIKey is OVBYLYYFLQUPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-9-10-4-3-5-11(8-10)17-14-15-12-6-1-2-7-13(12)18-14/h1-8,16H,9H2.
What are the key properties of [3-(1,3-benzoxazol-2-yloxy)phenyl]methanol?
[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol has a molecular weight of 241.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzoxazol-2-yloxy)phenyl]methanol is sourced from PubChem (CID 79869656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).