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

C17H17NO3 — CID 39097240

IUPAC2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol
SMILESCc1ccccc1COc1cccc2onc(CCO)c12
InChIInChI=1S/C17H17NO3/c1-12-5-2-3-6-13(12)11-20-15-7-4-8-16-17(15)14(9-10-19)18-21-16/h2-8,19H,9-11H2,1H3
InChIKeyRUXPUMQHWKDPKD-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.25
Rot. Bonds5

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

2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol (PubChem CID 39097240) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol
PubChem CID39097240
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol
SMILESCc1ccccc1COc1cccc2onc(CCO)c12
InChIInChI=1S/C17H17NO3/c1-12-5-2-3-6-13(12)11-20-15-7-4-8-16-17(15)14(9-10-19)18-21-16/h2-8,19H,9-11H2,1H3
InChIKeyRUXPUMQHWKDPKD-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

2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]ethanol
CID 107713072
2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 9320938
3-(2-chloroethyl)-4-[(4-fluorophenyl)methoxy]-1,2-benzoxazole
CID 39097386
ethanol;2-(2-methylphenyl)ethanol
CID 69408748
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 78931579
4-phenylmethoxy-1,2-benzoxazol-3-amine
CID 110282084
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
1-[(3-butyl-1,2-benzoxazol-4-yl)oxy]-3-(2-phenoxyethylamino)propan-2-ol
CID 152765974
4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
CID 10710216
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol?
The IUPAC name of 2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol (CID 39097240) is 2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol?
The canonical SMILES for 2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol is Cc1ccccc1COc1cccc2onc(CCO)c12.
What is the InChIKey of 2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol?
The InChIKey is RUXPUMQHWKDPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-5-2-3-6-13(12)11-20-15-7-4-8-16-17(15)14(9-10-19)18-21-16/h2-8,19H,9-11H2,1H3.
What are the key properties of 2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol?
2-[4-[(2-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-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol is sourced from PubChem (CID 39097240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).