2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene

C16H15BrO — CID 141285952

IUPAC2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene
SMILESCOc1ccc(C/C=C/c2ccccc2)c(Br)c1
InChIInChI=1S/C16H15BrO/c1-18-15-11-10-14(16(17)12-15)9-5-8-13-6-3-2-4-7-13/h2-8,10-12H,9H2,1H3/b8-5+
InChIKeyYZJAFZYAHRWSKT-VMPITWQZSA-N
MW303.20 g/mol
LogP4.71
Rot. Bonds4

About 2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene

2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene (PubChem CID 141285952) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene.

Molecular Properties

Compound Name2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene
PubChem CID141285952
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene
SMILESCOc1ccc(C/C=C/c2ccccc2)c(Br)c1
InChIInChI=1S/C16H15BrO/c1-18-15-11-10-14(16(17)12-15)9-5-8-13-6-3-2-4-7-13/h2-8,10-12H,9H2,1H3/b8-5+
InChIKeyYZJAFZYAHRWSKT-VMPITWQZSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-2-[(Z)-3-phenylprop-2-enyl]phenol
CID 10263673
1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene
CID 10923714
1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 15305963
4-methoxy-2-(methoxymethoxy)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 10781559
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361461
(E)-1-(2-bromo-5-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 166437631
4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol
CID 85093472
2-bromo-1-(chloromethyl)-4-methoxybenzene
CID 18624207
5-methoxy-2-phenyl-3-[(E)-3-phenylprop-2-enyl]-1-benzofuran
CID 132574413
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
CID 11414530

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene?
The IUPAC name of 2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene (CID 141285952) is 2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene.
What is the SMILES notation for 2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene?
The canonical SMILES for 2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene is COc1ccc(C/C=C/c2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene?
The InChIKey is YZJAFZYAHRWSKT-VMPITWQZSA-N. The full InChI is InChI=1S/C16H15BrO/c1-18-15-11-10-14(16(17)12-15)9-5-8-13-6-3-2-4-7-13/h2-8,10-12H,9H2,1H3/b8-5+.
What are the key properties of 2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene?
2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene has a molecular weight of 303.20 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene is sourced from PubChem (CID 141285952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).