1-chloro-3-(2-chloro-2-phenylethyl)benzene

C14H12Cl2 — CID 4737542

IUPAC1-chloro-3-(2-chloro-2-phenylethyl)benzene
SMILESClc1cccc(CC(Cl)c2ccccc2)c1
InChIInChI=1S/C14H12Cl2/c15-13-8-4-5-11(9-13)10-14(16)12-6-2-1-3-7-12/h1-9,14H,10H2
InChIKeyMXHVEBXQOJODTG-UHFFFAOYSA-N
MW251.16 g/mol
LogP4.86
Rot. Bonds3

About 1-chloro-3-(2-chloro-2-phenylethyl)benzene

1-chloro-3-(2-chloro-2-phenylethyl)benzene (PubChem CID 4737542) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-chloro-3-(2-chloro-2-phenylethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(2-chloro-2-phenylethyl)benzene
PubChem CID4737542
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name1-chloro-3-(2-chloro-2-phenylethyl)benzene
SMILESClc1cccc(CC(Cl)c2ccccc2)c1
InChIInChI=1S/C14H12Cl2/c15-13-8-4-5-11(9-13)10-14(16)12-6-2-1-3-7-12/h1-9,14H,10H2
InChIKeyMXHVEBXQOJODTG-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 54.86
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

1-butan-2-yl-4-[1-chloro-2-(3-chlorophenyl)ethyl]benzene
CID 63429914
3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
CID 63016855
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
CID 4737547
4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
CID 63428713
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
CID 50888148
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
1-(3-chlorophenyl)-4-phenylsulfanylbutan-2-amine
CID 79223389
[2-(3-chlorophenyl)-1-phenylethyl] carbamate
CID 156884464
1-chloro-3-[1-(3-chlorophenyl)but-3-yn-2-yl]benzene
CID 91804158
1-chloro-3-(2-chloro-3-phenoxypropyl)benzene
CID 14937130
1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine
CID 103463748

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chloro-2-phenylethyl)benzene?
The IUPAC name of 1-chloro-3-(2-chloro-2-phenylethyl)benzene (CID 4737542) is 1-chloro-3-(2-chloro-2-phenylethyl)benzene.
What is the SMILES notation for 1-chloro-3-(2-chloro-2-phenylethyl)benzene?
The canonical SMILES for 1-chloro-3-(2-chloro-2-phenylethyl)benzene is Clc1cccc(CC(Cl)c2ccccc2)c1.
What is the InChIKey of 1-chloro-3-(2-chloro-2-phenylethyl)benzene?
The InChIKey is MXHVEBXQOJODTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c15-13-8-4-5-11(9-13)10-14(16)12-6-2-1-3-7-12/h1-9,14H,10H2.
What are the key properties of 1-chloro-3-(2-chloro-2-phenylethyl)benzene?
1-chloro-3-(2-chloro-2-phenylethyl)benzene has a molecular weight of 251.16 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chloro-2-phenylethyl)benzene is sourced from PubChem (CID 4737542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).