4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol

C17H15NO2 — CID 136810517

IUPAC4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol
SMILESCc1cc(/C=C\c2nc3ccccc3o2)cc(C)c1O
InChIInChI=1S/C17H15NO2/c1-11-9-13(10-12(2)17(11)19)7-8-16-18-14-5-3-4-6-15(14)20-16/h3-10,19H,1-2H3/b8-7-
InChIKeyAWIIQKLWDFNDGR-FPLPWBNLSA-N
MW265.31 g/mol
LogP4.32
Rot. Bonds2

About 4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol

4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol (PubChem CID 136810517) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol
PubChem CID136810517
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol
SMILESCc1cc(/C=C\c2nc3ccccc3o2)cc(C)c1O
InChIInChI=1S/C17H15NO2/c1-11-9-13(10-12(2)17(11)19)7-8-16-18-14-5-3-4-6-15(14)20-16/h3-10,19H,1-2H3/b8-7-
InChIKeyAWIIQKLWDFNDGR-FPLPWBNLSA-N
XLogP4.32
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
2,6-dimethyl-4-[(E)-2-(5-nitro-1,3-benzoxazol-2-yl)ethenyl]phenol
CID 135689520
2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole
CID 97433353
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083407
2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 6437308
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
pyrimidin-4-yl 2-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1,3-benzoxazole-6-carboxylate
CID 137172838

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol (CID 136810517) is 4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol is Cc1cc(/C=C\c2nc3ccccc3o2)cc(C)c1O.
What is the InChIKey of 4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol?
The InChIKey is AWIIQKLWDFNDGR-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-9-13(10-12(2)17(11)19)7-8-16-18-14-5-3-4-6-15(14)20-16/h3-10,19H,1-2H3/b8-7-.
What are the key properties of 4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol?
4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol has a molecular weight of 265.31 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol is sourced from PubChem (CID 136810517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).