1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene

C21H17BrO — CID 139773227

IUPAC1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene
SMILESC=Cc1cccc(COc2ccc(-c3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C21H17BrO/c1-2-16-4-3-5-17(14-16)15-23-21-12-8-19(9-13-21)18-6-10-20(22)11-7-18/h2-14H,1,15H2
InChIKeyCQOWSURJXYRVBP-UHFFFAOYSA-N
MW365.27 g/mol
LogP6.34
Rot. Bonds5

About 1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene

1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene (PubChem CID 139773227) has the molecular formula C21H17BrO and a molecular weight of 365.27 g/mol. Its IUPAC name is 1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene
PubChem CID139773227
Molecular FormulaC21H17BrO
Molecular Weight365.27 g/mol
Exact Mass364.05
IUPAC Name1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene
SMILESC=Cc1cccc(COc2ccc(-c3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C21H17BrO/c1-2-16-4-3-5-17(14-16)15-23-21-12-8-19(9-13-21)18-6-10-20(22)11-7-18/h2-14H,1,15H2
InChIKeyCQOWSURJXYRVBP-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.27
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene
CID 139773230
1-ethenyl-4-[(3-methoxyphenyl)methoxy]benzene
CID 142732471
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
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
CID 59348799
CID 59348799
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine
CID 175646915

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene?
The IUPAC name of 1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene (CID 139773227) is 1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene.
What is the SMILES notation for 1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene?
The canonical SMILES for 1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene is C=Cc1cccc(COc2ccc(-c3ccc(Br)cc3)cc2)c1.
What is the InChIKey of 1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene?
The InChIKey is CQOWSURJXYRVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrO/c1-2-16-4-3-5-17(14-16)15-23-21-12-8-19(9-13-21)18-6-10-20(22)11-7-18/h2-14H,1,15H2.
What are the key properties of 1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene?
1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene has a molecular weight of 365.27 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene is sourced from PubChem (CID 139773227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).