1-bromo-3-(3-phenylprop-1-en-2-yl)benzene

C15H13Br — CID 174355940

IUPAC1-bromo-3-(3-phenylprop-1-en-2-yl)benzene
SMILESC=C(Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H13Br/c1-12(10-13-6-3-2-4-7-13)14-8-5-9-15(16)11-14/h2-9,11H,1,10H2
InChIKeyPBAFRQLLUUGZEJ-UHFFFAOYSA-N
MW273.17 g/mol
LogP4.70
Rot. Bonds3

About 1-bromo-3-(3-phenylprop-1-en-2-yl)benzene

1-bromo-3-(3-phenylprop-1-en-2-yl)benzene (PubChem CID 174355940) has the molecular formula C15H13Br and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-bromo-3-(3-phenylprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-3-(3-phenylprop-1-en-2-yl)benzene
PubChem CID174355940
Molecular FormulaC15H13Br
Molecular Weight273.17 g/mol
Exact Mass272.02
IUPAC Name1-bromo-3-(3-phenylprop-1-en-2-yl)benzene
SMILESC=C(Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H13Br/c1-12(10-13-6-3-2-4-7-13)14-8-5-9-15(16)11-14/h2-9,11H,1,10H2
InChIKeyPBAFRQLLUUGZEJ-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(Z)-2-(3-bromophenyl)-5-phenylpent-2-en-1-ol
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CID 117268845

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-phenylprop-1-en-2-yl)benzene?
The IUPAC name of 1-bromo-3-(3-phenylprop-1-en-2-yl)benzene (CID 174355940) is 1-bromo-3-(3-phenylprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-bromo-3-(3-phenylprop-1-en-2-yl)benzene?
The canonical SMILES for 1-bromo-3-(3-phenylprop-1-en-2-yl)benzene is C=C(Cc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(3-phenylprop-1-en-2-yl)benzene?
The InChIKey is PBAFRQLLUUGZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br/c1-12(10-13-6-3-2-4-7-13)14-8-5-9-15(16)11-14/h2-9,11H,1,10H2.
What are the key properties of 1-bromo-3-(3-phenylprop-1-en-2-yl)benzene?
1-bromo-3-(3-phenylprop-1-en-2-yl)benzene has a molecular weight of 273.17 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-phenylprop-1-en-2-yl)benzene is sourced from PubChem (CID 174355940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).