2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol

C17H17NO3 — CID 39097186

IUPAC2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol
SMILESCc1ccc(COc2ccc3onc(CCO)c3c2)cc1
InChIInChI=1S/C17H17NO3/c1-12-2-4-13(5-3-12)11-20-14-6-7-17-15(10-14)16(8-9-19)18-21-17/h2-7,10,19H,8-9,11H2,1H3
InChIKeyWEMCQAZREPHBTM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.25
Rot. Bonds5

About 2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol

2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol (PubChem CID 39097186) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol
PubChem CID39097186
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol
SMILESCc1ccc(COc2ccc3onc(CCO)c3c2)cc1
InChIInChI=1S/C17H17NO3/c1-12-2-4-13(5-3-12)11-20-14-6-7-17-15(10-14)16(8-9-19)18-21-17/h2-7,10,19H,8-9,11H2,1H3
InChIKeyWEMCQAZREPHBTM-UHFFFAOYSA-N
XLogP3.25
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromoethyl)-6-[(4-methylphenyl)methoxy]-1,2-benzoxazole
CID 39097643
3-(2-bromoethyl)-5-chloro-6-[(4-methylphenyl)methoxy]-1,2-benzoxazole
CID 39097696
(5-methyl-1,2-benzoxazol-3-yl)methanol
CID 119083461
2-[5-(2-methylpropoxy)-1,2-benzoxazol-3-yl]ethanethiol
CID 39097940
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
2-methoxyethyl 2-methyl-5-[(4-methylphenyl)methoxy]-1-benzofuran-3-carboxylate
CID 2016192
5-[(4-methylphenyl)methoxy]-1-oxido-2,1,3-benzoxadiazol-1-ium
CID 71452042
[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;methane
CID 158963086
3-(2-chloroethyl)-5-ethyl-1,2-benzoxazole
CID 39097321
N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790464
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
3-(4-methylphenyl)-1,2-benzoxazol-5-ol
CID 105482853

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol?
The IUPAC name of 2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol (CID 39097186) is 2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol is Cc1ccc(COc2ccc3onc(CCO)c3c2)cc1.
What is the InChIKey of 2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol?
The InChIKey is WEMCQAZREPHBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-2-4-13(5-3-12)11-20-14-6-7-17-15(10-14)16(8-9-19)18-21-17/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of 2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol?
2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol has a molecular weight of 283.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol is sourced from PubChem (CID 39097186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).