2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene

C14H12Cl2 — CID 2823733

IUPAC2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene
SMILESCc1ccc(-c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2/c1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12/h3-8H,1-2H3
InChIKeyUEUCSNHCINRLEQ-UHFFFAOYSA-N
MW251.16 g/mol
LogP5.28
Rot. Bonds1

About 2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene

2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene (PubChem CID 2823733) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene
PubChem CID2823733
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene
SMILESCc1ccc(-c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2/c1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12/h3-8H,1-2H3
InChIKeyUEUCSNHCINRLEQ-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.16
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Chloro-4-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene
CID 3036
Mitotane
CID 4211
1-Chloronaphthalene
CID 7003
3,3',5-Trichlorobiphenyl
CID 38037
O,P'-Ddt
CID 13089
3,3',5,5'-Tetrachlorobiphenyl
CID 36400
2-Chlorobiphenyl
CID 249266
2,2',5,5'-Tetrachlorobiphenyl
CID 37248
2,2',5-Trichlorobiphenyl
CID 37803
3-Chlorobiphenyl
CID 16322
O,P'-Dde
CID 246598
2,2',6,6'-Tetrachlorobiphenyl
CID 27588

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene?
The IUPAC name of 2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene (CID 2823733) is 2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene.
What is the SMILES notation for 2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene?
The canonical SMILES for 2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene is Cc1ccc(-c2ccc(C)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene?
The InChIKey is UEUCSNHCINRLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12/h3-8H,1-2H3.
What are the key properties of 2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene?
2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene has a molecular weight of 251.16 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene is sourced from PubChem (CID 2823733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).