1-chloro-2-[3-(4-phenylphenyl)propyl]benzene

C21H19Cl — CID 173254966

IUPAC1-chloro-2-[3-(4-phenylphenyl)propyl]benzene
SMILESClc1ccccc1CCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19Cl/c22-21-12-5-4-10-20(21)11-6-7-17-13-15-19(16-14-17)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11H2
InChIKeyCXPZYIWDBDFSQF-UHFFFAOYSA-N
MW306.84 g/mol
LogP6.18
Rot. Bonds5

About 1-chloro-2-[3-(4-phenylphenyl)propyl]benzene

1-chloro-2-[3-(4-phenylphenyl)propyl]benzene (PubChem CID 173254966) has the molecular formula C21H19Cl and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-chloro-2-[3-(4-phenylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[3-(4-phenylphenyl)propyl]benzene
PubChem CID173254966
Molecular FormulaC21H19Cl
Molecular Weight306.84 g/mol
Exact Mass306.12
IUPAC Name1-chloro-2-[3-(4-phenylphenyl)propyl]benzene
SMILESClc1ccccc1CCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19Cl/c22-21-12-5-4-10-20(21)11-6-7-17-13-15-19(16-14-17)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11H2
InChIKeyCXPZYIWDBDFSQF-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.84
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-(2-phenylethyl)benzene
CID 21495838
1,4-bis(3-phenylpropyl)benzene
CID 59467322
trichloro-[3-(4-phenylphenyl)propyl]silane
CID 69458653
1-butyl-4-phenylbenzene;ethane
CID 143743409
azane;1-butyl-2-chlorobenzene
CID 19011342
1-chloro-2-(13-chlorotridecyl)benzene
CID 141077015
4-(4-phenylphenyl)butan-1-ol
CID 11970468
1-chloro-2-(3-phenoxypropyl)benzene
CID 174487660
1-(8-bromooctyl)-2-chlorobenzene
CID 18786455
1-(5-fluoropentyl)-4-phenylbenzene
CID 20663493
1-pentadecyl-4-phenylbenzene
CID 57166115
1-chloro-2-(2-chloro-5-phenylpentyl)benzene
CID 63518283

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[3-(4-phenylphenyl)propyl]benzene?
The IUPAC name of 1-chloro-2-[3-(4-phenylphenyl)propyl]benzene (CID 173254966) is 1-chloro-2-[3-(4-phenylphenyl)propyl]benzene.
What is the SMILES notation for 1-chloro-2-[3-(4-phenylphenyl)propyl]benzene?
The canonical SMILES for 1-chloro-2-[3-(4-phenylphenyl)propyl]benzene is Clc1ccccc1CCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-chloro-2-[3-(4-phenylphenyl)propyl]benzene?
The InChIKey is CXPZYIWDBDFSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl/c22-21-12-5-4-10-20(21)11-6-7-17-13-15-19(16-14-17)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11H2.
What are the key properties of 1-chloro-2-[3-(4-phenylphenyl)propyl]benzene?
1-chloro-2-[3-(4-phenylphenyl)propyl]benzene has a molecular weight of 306.84 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[3-(4-phenylphenyl)propyl]benzene is sourced from PubChem (CID 173254966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).