1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene

C22H19Br — CID 167179403

IUPAC1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene
SMILESC=C(Cc1ccccc1-c1ccccc1C)c1ccc(Br)cc1
InChIInChI=1S/C22H19Br/c1-16-7-3-5-9-21(16)22-10-6-4-8-19(22)15-17(2)18-11-13-20(23)14-12-18/h3-14H,2,15H2,1H3
InChIKeyQEFINCVAULPZAM-UHFFFAOYSA-N
MW363.30 g/mol
LogP6.68
Rot. Bonds4

About 1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene

1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene (PubChem CID 167179403) has the molecular formula C22H19Br and a molecular weight of 363.30 g/mol. Its IUPAC name is 1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene
PubChem CID167179403
Molecular FormulaC22H19Br
Molecular Weight363.30 g/mol
Exact Mass362.07
IUPAC Name1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene
SMILESC=C(Cc1ccccc1-c1ccccc1C)c1ccc(Br)cc1
InChIInChI=1S/C22H19Br/c1-16-7-3-5-9-21(16)22-10-6-4-8-19(22)15-17(2)18-11-13-20(23)14-12-18/h3-14H,2,15H2,1H3
InChIKeyQEFINCVAULPZAM-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-2-(2-methylphenyl)-1-[2-(3-phenylphenyl)prop-2-enyl]benzene
CID 134475714
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
2-[2-[4-bromo-2-(2-methylphenyl)phenyl]prop-2-enyl]triphenylene
CID 134476198
2-(4-bromophenyl)prop-2-enyl-trimethylazanium
CID 14174230
1-ethyl-2-(2-phenylprop-2-enyl)benzene
CID 18968382
N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine
CID 166520929
(3S)-4-methyl-3-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yloxy]pentan-2-one
CID 89298598
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621
1-methyl-2-(2-methylidenebutyl)benzene
CID 123760109
4-bromo-2-chloro-1-(2-methylphenyl)benzene
CID 174455914
3-(4-bromophenyl)-N-methylbut-3-en-1-amine
CID 117269138
1-(1-chloroethenyl)-4-(2-methylphenyl)benzene
CID 156825612

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene?
The IUPAC name of 1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene (CID 167179403) is 1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene is C=C(Cc1ccccc1-c1ccccc1C)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene?
The InChIKey is QEFINCVAULPZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br/c1-16-7-3-5-9-21(16)22-10-6-4-8-19(22)15-17(2)18-11-13-20(23)14-12-18/h3-14H,2,15H2,1H3.
What are the key properties of 1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene?
1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene has a molecular weight of 363.30 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene is sourced from PubChem (CID 167179403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).