1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene

C23H30Cl2 — CID 135251989

IUPAC1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(C)c(C(C)(Cl)c2c(C)c(C)c(Cl)c(C)c2C)c(C)c1C
InChIInChI=1S/C23H30Cl2/c1-11-12(2)14(4)20(15(5)13(11)3)23(10,25)21-16(6)18(8)22(24)19(9)17(21)7/h1-10H3
InChIKeyHYWVXABPXVNSRF-UHFFFAOYSA-N
MW377.40 g/mol
LogP7.62
Rot. Bonds2

About 1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene

1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene (PubChem CID 135251989) has the molecular formula C23H30Cl2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene
PubChem CID135251989
Molecular FormulaC23H30Cl2
Molecular Weight377.40 g/mol
Exact Mass376.17
IUPAC Name1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(C)c(C(C)(Cl)c2c(C)c(C)c(Cl)c(C)c2C)c(C)c1C
InChIInChI=1S/C23H30Cl2/c1-11-12(2)14(4)20(15(5)13(11)3)23(10,25)21-16(6)18(8)22(24)19(9)17(21)7/h1-10H3
InChIKeyHYWVXABPXVNSRF-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.40
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene (CID 135251989) is 1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene is Cc1c(C)c(C)c(C(C)(Cl)c2c(C)c(C)c(Cl)c(C)c2C)c(C)c1C.
What is the InChIKey of 1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene?
The InChIKey is HYWVXABPXVNSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2/c1-11-12(2)14(4)20(15(5)13(11)3)23(10,25)21-16(6)18(8)22(24)19(9)17(21)7/h1-10H3.
What are the key properties of 1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene?
1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene has a molecular weight of 377.40 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 135251989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).