1-(1-chloro-2-phenylethyl)-4-phenylbenzene

C20H17Cl — CID 21425464

IUPAC1-(1-chloro-2-phenylethyl)-4-phenylbenzene
SMILESClC(Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H17Cl/c21-20(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2
InChIKeyLFIZKQQVXSQJSP-UHFFFAOYSA-N
MW292.81 g/mol
LogP5.88
Rot. Bonds4

About 1-(1-chloro-2-phenylethyl)-4-phenylbenzene

1-(1-chloro-2-phenylethyl)-4-phenylbenzene (PubChem CID 21425464) has the molecular formula C20H17Cl and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(1-chloro-2-phenylethyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(1-chloro-2-phenylethyl)-4-phenylbenzene
PubChem CID21425464
Molecular FormulaC20H17Cl
Molecular Weight292.81 g/mol
Exact Mass292.10
IUPAC Name1-(1-chloro-2-phenylethyl)-4-phenylbenzene
SMILESClC(Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H17Cl/c21-20(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2
InChIKeyLFIZKQQVXSQJSP-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.81
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(1-chloro-2-phenylethyl)phenol;sulfane
CID 67803217
1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene
CID 61085744
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
1-(1-chloropentyl)-4-phenylbenzene
CID 63429246
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
CID 4737547
3-(1-chloro-2-phenylethyl)benzoic acid
CID 50887894
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
CID 50888148
1-[1-fluoro-2-(4-methylphenyl)ethyl]-4-phenylbenzene
CID 122392011
(1S)-1-chloro-2-phenylethanethiol
CID 124584825

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-phenylethyl)-4-phenylbenzene?
The IUPAC name of 1-(1-chloro-2-phenylethyl)-4-phenylbenzene (CID 21425464) is 1-(1-chloro-2-phenylethyl)-4-phenylbenzene.
What is the SMILES notation for 1-(1-chloro-2-phenylethyl)-4-phenylbenzene?
The canonical SMILES for 1-(1-chloro-2-phenylethyl)-4-phenylbenzene is ClC(Cc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(1-chloro-2-phenylethyl)-4-phenylbenzene?
The InChIKey is LFIZKQQVXSQJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl/c21-20(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2.
What are the key properties of 1-(1-chloro-2-phenylethyl)-4-phenylbenzene?
1-(1-chloro-2-phenylethyl)-4-phenylbenzene has a molecular weight of 292.81 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-phenylethyl)-4-phenylbenzene is sourced from PubChem (CID 21425464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).