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

C16H14Br2O — CID 135043487

IUPAC1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene
SMILESCOC(/C=C(/Br)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2O/c1-19-16(13-7-9-14(17)10-8-13)11-15(18)12-5-3-2-4-6-12/h2-11,16H,1H3/b15-11+
InChIKeyIGVOMXHEGFCGGD-RVDMUPIBSA-N
MW382.10 g/mol
LogP5.57
Rot. Bonds4

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

1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene (PubChem CID 135043487) has the molecular formula C16H14Br2O and a molecular weight of 382.10 g/mol. Its IUPAC name is 1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene
PubChem CID135043487
Molecular FormulaC16H14Br2O
Molecular Weight382.10 g/mol
Exact Mass379.94
IUPAC Name1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene
SMILESCOC(/C=C(/Br)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2O/c1-19-16(13-7-9-14(17)10-8-13)11-15(18)12-5-3-2-4-6-12/h2-11,16H,1H3/b15-11+
InChIKeyIGVOMXHEGFCGGD-RVDMUPIBSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.10
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone
CID 67434862
1-methoxyprop-2-enylbenzene
CID 11029990
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
1-bromo-4-[(1S)-1-methoxyethyl]benzene
CID 51534481
3-(4-bromophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one
CID 3059018
[(E,1S)-1-methoxybut-2-enyl]benzene
CID 129385395
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
1-bromo-4-[(E)-2-bromo-1-phenylethenyl]benzene
CID 44719904
bromobenzene;methyl benzoate
CID 175243928
(2R)-2-(4-bromophenyl)-2-methoxyethanol
CID 59315196

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene (CID 135043487) is 1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene is COC(/C=C(/Br)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene?
The InChIKey is IGVOMXHEGFCGGD-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H14Br2O/c1-19-16(13-7-9-14(17)10-8-13)11-15(18)12-5-3-2-4-6-12/h2-11,16H,1H3/b15-11+.
What are the key properties of 1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene?
1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene has a molecular weight of 382.10 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-3-bromo-1-methoxy-3-phenylprop-2-enyl]benzene is sourced from PubChem (CID 135043487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).