1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene

C16H15Br — CID 15039495

IUPAC1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
SMILESCC(C)=C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br/c1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-11H,1-2H3
InChIKeyKNMSMASLOMQYQZ-UHFFFAOYSA-N
MW287.20 g/mol
LogP5.29
Rot. Bonds2

About 1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene

1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene (PubChem CID 15039495) has the molecular formula C16H15Br and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
PubChem CID15039495
Molecular FormulaC16H15Br
Molecular Weight287.20 g/mol
Exact Mass286.04
IUPAC Name1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
SMILESCC(C)=C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br/c1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-11H,1-2H3
InChIKeyKNMSMASLOMQYQZ-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.20
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 132556766
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CID 141454768
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
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1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
CID 156703039
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941
benzene;1-(4-bromophenyl)ethanone
CID 174710467
1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine
CID 145462827
1-bromo-4-[(E)-2-bromo-1-phenylethenyl]benzene
CID 44719904
1-(4-bromophenyl)-2-[hydroxy(phenyl)methylidene]butane-1,3-dione
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1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
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CID 134249125

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene?
The IUPAC name of 1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene (CID 15039495) is 1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene?
The canonical SMILES for 1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene is CC(C)=C(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene?
The InChIKey is KNMSMASLOMQYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br/c1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-11H,1-2H3.
What are the key properties of 1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene?
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene has a molecular weight of 287.20 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene is sourced from PubChem (CID 15039495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).