1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene

C15H13Cl2F — CID 164873635

IUPAC1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CCc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H13Cl2F/c1-10-2-5-12(15(18)8-10)6-3-11-4-7-13(16)14(17)9-11/h2,4-5,7-9H,3,6H2,1H3
InChIKeyXVVOZSGBHRYICP-UHFFFAOYSA-N
MW283.17 g/mol
LogP5.23
Rot. Bonds3

About 1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene

1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene (PubChem CID 164873635) has the molecular formula C15H13Cl2F and a molecular weight of 283.17 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene
PubChem CID164873635
Molecular FormulaC15H13Cl2F
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CCc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H13Cl2F/c1-10-2-5-12(15(18)8-10)6-3-11-4-7-13(16)14(17)9-11/h2,4-5,7-9H,3,6H2,1H3
InChIKeyXVVOZSGBHRYICP-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.17
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole
CID 161390524
1-chloro-2-fluoro-4-methylbenzene;propane
CID 154658085
2-fluoro-1-[2-[4-(4-isothiocyanatophenyl)phenyl]ethyl]-4-methylbenzene
CID 163576043
1-[2,6-difluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 155148619
2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273599
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
2-fluoro-6-[2-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]ethynyl]naphthalene
CID 139856656
2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880750
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
1,2-dichloro-4-[(3S)-5-(3-fluoro-4-methylphenyl)-3-methylpentyl]benzene
CID 147947080
2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 165003126
1,2-dichloro-4-methylbenzene;zinc
CID 174694337

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene?
The IUPAC name of 1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene (CID 164873635) is 1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene is Cc1ccc(CCc2ccc(Cl)c(Cl)c2)c(F)c1.
What is the InChIKey of 1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene?
The InChIKey is XVVOZSGBHRYICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F/c1-10-2-5-12(15(18)8-10)6-3-11-4-7-13(16)14(17)9-11/h2,4-5,7-9H,3,6H2,1H3.
What are the key properties of 1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene?
1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene has a molecular weight of 283.17 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 164873635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).