4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol

C11H14BrNO2 — CID 103091487

IUPAC4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol
SMILESCOc1cc(/C=C/C(C)N)cc(Br)c1O
InChIInChI=1S/C11H14BrNO2/c1-7(13)3-4-8-5-9(12)11(14)10(6-8)15-2/h3-7,14H,13H2,1-2H3/b4-3+
InChIKeyJFUBTUZVRHQTPF-ONEGZZNKSA-N
MW272.14 g/mol
LogP2.52
Rot. Bonds3

About 4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol

4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol (PubChem CID 103091487) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol
PubChem CID103091487
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol
SMILESCOc1cc(/C=C/C(C)N)cc(Br)c1O
InChIInChI=1S/C11H14BrNO2/c1-7(13)3-4-8-5-9(12)11(14)10(6-8)15-2/h3-7,14H,13H2,1-2H3/b4-3+
InChIKeyJFUBTUZVRHQTPF-ONEGZZNKSA-N
XLogP2.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enal
CID 79331501
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 735789
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 155216963
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 57041223
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
2-bromo-6-methoxy-4-[2-(3-methyl-1,2-oxazol-4-yl)ethenyl]phenol
CID 139728558
2-bromo-6-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740130
(E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide
CID 170875955
[2-(dimethylamino)-2-oxoethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 8655936
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 8656077
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 8656064
4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol
CID 130062366

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol?
The IUPAC name of 4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol (CID 103091487) is 4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol.
What is the SMILES notation for 4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol?
The canonical SMILES for 4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol is COc1cc(/C=C/C(C)N)cc(Br)c1O.
What is the InChIKey of 4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol?
The InChIKey is JFUBTUZVRHQTPF-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7(13)3-4-8-5-9(12)11(14)10(6-8)15-2/h3-7,14H,13H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol?
4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol has a molecular weight of 272.14 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol is sourced from PubChem (CID 103091487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).