1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene

C15H11Br3O — CID 139773230

IUPAC1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene
SMILESC=Cc1cccc(COc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C15H11Br3O/c1-2-10-4-3-5-11(6-10)9-19-15-13(17)7-12(16)8-14(15)18/h2-8H,1,9H2
InChIKeyUAECSXMUNDELNR-UHFFFAOYSA-N
MW446.96 g/mol
LogP6.20
Rot. Bonds4

About 1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene

1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene (PubChem CID 139773230) has the molecular formula C15H11Br3O and a molecular weight of 446.96 g/mol. Its IUPAC name is 1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene
PubChem CID139773230
Molecular FormulaC15H11Br3O
Molecular Weight446.96 g/mol
Exact Mass443.84
IUPAC Name1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene
SMILESC=Cc1cccc(COc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C15H11Br3O/c1-2-10-4-3-5-11(6-10)9-19-15-13(17)7-12(16)8-14(15)18/h2-8H,1,9H2
InChIKeyUAECSXMUNDELNR-UHFFFAOYSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene
CID 139773227
O-[(3-ethenylphenyl)methyl]hydroxylamine
CID 100921787
1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene
CID 159641511
1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616
(3-ethenylphenyl)methylphosphanium chloride
CID 159346927
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
CID 4770151
2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene
CID 155146173
[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol
CID 132591526
1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 86122980
(3-ethenylphenyl)methyl butanoate
CID 89419306
(4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone
CID 57412670
3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde
CID 122476157

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene?
The IUPAC name of 1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene (CID 139773230) is 1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene.
What is the SMILES notation for 1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene?
The canonical SMILES for 1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene is C=Cc1cccc(COc2c(Br)cc(Br)cc2Br)c1.
What is the InChIKey of 1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene?
The InChIKey is UAECSXMUNDELNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br3O/c1-2-10-4-3-5-11(6-10)9-19-15-13(17)7-12(16)8-14(15)18/h2-8H,1,9H2.
What are the key properties of 1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene?
1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene has a molecular weight of 446.96 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene is sourced from PubChem (CID 139773230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).