1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene

C16H15BrO — CID 4686859

IUPAC1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
SMILESC=Cc1ccc(COc2ccc(CBr)cc2)cc1
InChIInChI=1S/C16H15BrO/c1-2-13-3-5-15(6-4-13)12-18-16-9-7-14(11-17)8-10-16/h2-10H,1,11-12H2
InChIKeyWOANCAYDUZAHJC-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.80
Rot. Bonds5

About 1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene

1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene (PubChem CID 4686859) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
PubChem CID4686859
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
SMILESC=Cc1ccc(COc2ccc(CBr)cc2)cc1
InChIInChI=1S/C16H15BrO/c1-2-13-3-5-15(6-4-13)12-18-16-9-7-14(11-17)8-10-16/h2-10H,1,11-12H2
InChIKeyWOANCAYDUZAHJC-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite
CID 132547089
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
CID 145260573
[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 86004724
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium
CID 20764928
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537
2-[4-[(4-ethenylphenyl)methoxy]phenyl]pyridine
CID 59748631
2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile
CID 89231476
1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole
CID 102507741
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene (CID 4686859) is 1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene is C=Cc1ccc(COc2ccc(CBr)cc2)cc1.
What is the InChIKey of 1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene?
The InChIKey is WOANCAYDUZAHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-2-13-3-5-15(6-4-13)12-18-16-9-7-14(11-17)8-10-16/h2-10H,1,11-12H2.
What are the key properties of 1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene?
1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene has a molecular weight of 303.20 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene is sourced from PubChem (CID 4686859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).