3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene

C20H25Cl — CID 63433601

IUPAC3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Cl)c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C20H25Cl/c1-12(2)17-7-9-18(10-8-17)20(21)19-15(5)13(3)11-14(4)16(19)6/h7-12,20H,1-6H3
InChIKeyDYDFGVKMGYWPAL-UHFFFAOYSA-N
MW300.87 g/mol
LogP6.37
Rot. Bonds3

About 3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene

3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene (PubChem CID 63433601) has the molecular formula C20H25Cl and a molecular weight of 300.87 g/mol. Its IUPAC name is 3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene
PubChem CID63433601
Molecular FormulaC20H25Cl
Molecular Weight300.87 g/mol
Exact Mass300.16
IUPAC Name3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Cl)c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C20H25Cl/c1-12(2)17-7-9-18(10-8-17)20(21)19-15(5)13(3)11-14(4)16(19)6/h7-12,20H,1-6H3
InChIKeyDYDFGVKMGYWPAL-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.87
LogP ≤ 56.37
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-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107980826
2-[chloro-(4-propan-2-ylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82815966
3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107955917
1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429571
1-[chloro-(4-propan-2-ylphenyl)methyl]-2,3-dimethylbenzene
CID 63435435
3-[chloro-(2-chloro-6-fluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63433736
2-bromo-5-[chloro-(4-propan-2-ylphenyl)methyl]-3-methylthiophene
CID 79996665
1-[chloro(phenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 2776679
ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene
CID 90692106
1-tert-butyl-4-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 63431525
3-[chloro-(2,3,4-trifluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 79756532
3-[(2-bromo-3-methylphenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107983453

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene (CID 63433601) is 3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)c(C(Cl)c2ccc(C(C)C)cc2)c1C.
What is the InChIKey of 3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The InChIKey is DYDFGVKMGYWPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl/c1-12(2)17-7-9-18(10-8-17)20(21)19-15(5)13(3)11-14(4)16(19)6/h7-12,20H,1-6H3.
What are the key properties of 3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene?
3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene has a molecular weight of 300.87 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 63433601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).