2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene

C16H16Cl2 — CID 106862844

IUPAC2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene
SMILESCc1ccc(C(Cl)c2ccc(C)c(C)c2)c(Cl)c1
InChIInChI=1S/C16H16Cl2/c1-10-4-7-14(15(17)8-10)16(18)13-6-5-11(2)12(3)9-13/h4-9,16H,1-3H3
InChIKeyVACRKWRXPGBEAD-UHFFFAOYSA-N
MW279.21 g/mol
LogP5.59
Rot. Bonds2

About 2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene

2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene (PubChem CID 106862844) has the molecular formula C16H16Cl2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene
PubChem CID106862844
Molecular FormulaC16H16Cl2
Molecular Weight279.21 g/mol
Exact Mass278.06
IUPAC Name2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene
SMILESCc1ccc(C(Cl)c2ccc(C)c(C)c2)c(Cl)c1
InChIInChI=1S/C16H16Cl2/c1-10-4-7-14(15(17)8-10)16(18)13-6-5-11(2)12(3)9-13/h4-9,16H,1-3H3
InChIKeyVACRKWRXPGBEAD-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.21
LogP ≤ 55.59
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-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 106862883
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
CID 63434490
2-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methylbenzene
CID 106862927
1-[chloro-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863171
4-bromo-1-[chloro-(3,4-dimethylphenyl)methyl]-2-methoxybenzene
CID 115369785
2-[chloro-(4-fluoro-3-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 81284211
1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 63428656
1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 63430827
1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
CID 107991387
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 106863202
2-chloro-5-[chloro-(2-chloro-4-methylphenyl)methyl]-3-methylthiophene
CID 106863306
1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene
CID 113319612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene?
The IUPAC name of 2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene (CID 106862844) is 2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene?
The canonical SMILES for 2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene is Cc1ccc(C(Cl)c2ccc(C)c(C)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene?
The InChIKey is VACRKWRXPGBEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2/c1-10-4-7-14(15(17)8-10)16(18)13-6-5-11(2)12(3)9-13/h4-9,16H,1-3H3.
What are the key properties of 2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene?
2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene has a molecular weight of 279.21 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 106862844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).