1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene

C20H25Cl — CID 63429571

IUPAC1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1ccc(C(Cl)c2c(C)c(C)c(C)c(C)c2C)cc1C
InChIInChI=1S/C20H25Cl/c1-11-8-9-18(10-12(11)2)20(21)19-16(6)14(4)13(3)15(5)17(19)7/h8-10,20H,1-7H3
InChIKeyUEVQHEWNSHKTLI-UHFFFAOYSA-N
MW300.87 g/mol
LogP6.17
Rot. Bonds2

About 1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene

1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene (PubChem CID 63429571) has the molecular formula C20H25Cl and a molecular weight of 300.87 g/mol. Its IUPAC name is 1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
PubChem CID63429571
Molecular FormulaC20H25Cl
Molecular Weight300.87 g/mol
Exact Mass300.16
IUPAC Name1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1ccc(C(Cl)c2c(C)c(C)c(C)c(C)c2C)cc1C
InChIInChI=1S/C20H25Cl/c1-11-8-9-18(10-12(11)2)20(21)19-16(6)14(4)13(3)15(5)17(19)7/h8-10,20H,1-7H3
InChIKeyUEVQHEWNSHKTLI-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.87
LogP ≤ 56.17
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

3-[chloro-(3,4-dimethylphenyl)methyl]-2,4,5-trimethylfuran
CID 65152086
1-[chloro-(3,4-difluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429317
4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene
CID 63427367
1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 63430827
1-[chloro(phenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 2776679
4-[chloro-(4-methoxyphenyl)methyl]-1,2-dimethylbenzene
CID 63427206
4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
CID 63427495
1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
CID 107991387
3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63433601
3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran
CID 61082154
2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene
CID 106862844
5-[chloro-(3,4-dimethylphenyl)methyl]-1H-pyrazole
CID 114988756

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene (CID 63429571) is 1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene is Cc1ccc(C(Cl)c2c(C)c(C)c(C)c(C)c2C)cc1C.
What is the InChIKey of 1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The InChIKey is UEVQHEWNSHKTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl/c1-11-8-9-18(10-12(11)2)20(21)19-16(6)14(4)13(3)15(5)17(19)7/h8-10,20H,1-7H3.
What are the key properties of 1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene has a molecular weight of 300.87 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 63429571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).