2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol

C13H12BrNO3 — CID 139728558

IUPAC2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol
SMILESCOc1cc(C=Cc2conc2C)cc(Br)c1O
InChIInChI=1S/C13H12BrNO3/c1-8-10(7-18-15-8)4-3-9-5-11(14)13(16)12(6-9)17-2/h3-7,16H,1-2H3
InChIKeyARVUFRXFNNSUIP-UHFFFAOYSA-N
MW310.15 g/mol
LogP3.63
Rot. Bonds3

About 2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol

2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol (PubChem CID 139728558) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol
PubChem CID139728558
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol
SMILESCOc1cc(C=Cc2conc2C)cc(Br)c1O
InChIInChI=1S/C13H12BrNO3/c1-8-10(7-18-15-8)4-3-9-5-11(14)13(16)12(6-9)17-2/h3-7,16H,1-2H3
InChIKeyARVUFRXFNNSUIP-UHFFFAOYSA-N
XLogP3.63
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enal
CID 79331501
4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol
CID 103091487
2-bromo-4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-6-methoxyphenol
CID 135752315
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 735789
2-bromo-6-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740130
(4E)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 135637395
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 72723773
2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol
CID 5290152
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol
CID 135557835
2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
CID 101267278
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 135593934

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol (CID 139728558) is 2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol is COc1cc(C=Cc2conc2C)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol?
The InChIKey is ARVUFRXFNNSUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-8-10(7-18-15-8)4-3-9-5-11(14)13(16)12(6-9)17-2/h3-7,16H,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol?
2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol has a molecular weight of 310.15 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol is sourced from PubChem (CID 139728558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).