1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene

C22H21Cl — CID 91287342

IUPAC1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
SMILESCc1ccc(CC(Cc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H21Cl/c1-17-7-9-18(10-8-17)15-21(20-5-3-2-4-6-20)16-19-11-13-22(23)14-12-19/h2-14,21H,15-16H2,1H3
InChIKeyHCLJWUNHEZPCCY-UHFFFAOYSA-N
MW320.86 g/mol
LogP6.22
Rot. Bonds5

About 1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene

1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene (PubChem CID 91287342) has the molecular formula C22H21Cl and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
PubChem CID91287342
Molecular FormulaC22H21Cl
Molecular Weight320.86 g/mol
Exact Mass320.13
IUPAC Name1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
SMILESCc1ccc(CC(Cc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H21Cl/c1-17-7-9-18(10-8-17)15-21(20-5-3-2-4-6-20)16-19-11-13-22(23)14-12-19/h2-14,21H,15-16H2,1H3
InChIKeyHCLJWUNHEZPCCY-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.86
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene
CID 79436182
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
CID 58698493
1-chloro-4-methylbenzene;ethane;toluene
CID 159482529
4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
CID 175589044
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene?
The IUPAC name of 1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene (CID 91287342) is 1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene.
What is the SMILES notation for 1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene?
The canonical SMILES for 1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene is Cc1ccc(CC(Cc2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene?
The InChIKey is HCLJWUNHEZPCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl/c1-17-7-9-18(10-8-17)15-21(20-5-3-2-4-6-20)16-19-11-13-22(23)14-12-19/h2-14,21H,15-16H2,1H3.
What are the key properties of 1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene?
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene has a molecular weight of 320.86 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene is sourced from PubChem (CID 91287342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).