2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene

C20H25Cl — CID 66258234

IUPAC2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene
SMILESCCC(C)(C)c1ccc(C(Cl)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25Cl/c1-6-20(4,5)17-11-9-16(10-12-17)19(21)18-13-14(2)7-8-15(18)3/h7-13,19H,6H2,1-5H3
InChIKeyMRCKAAZLICGQFH-UHFFFAOYSA-N
MW300.87 g/mol
LogP6.32
Rot. Bonds4

About 2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene

2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene (PubChem CID 66258234) has the molecular formula C20H25Cl and a molecular weight of 300.87 g/mol. Its IUPAC name is 2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene
PubChem CID66258234
Molecular FormulaC20H25Cl
Molecular Weight300.87 g/mol
Exact Mass300.16
IUPAC Name2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene
SMILESCCC(C)(C)c1ccc(C(Cl)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25Cl/c1-6-20(4,5)17-11-9-16(10-12-17)19(21)18-13-14(2)7-8-15(18)3/h7-13,19H,6H2,1-5H3
InChIKeyMRCKAAZLICGQFH-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.87
LogP ≤ 56.32
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-[4-(2-methylbutan-2-yl)phenyl]methyl]-2,4-difluorobenzene
CID 66260161
1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene
CID 66259588
4-bromo-2-[(4-tert-butylphenyl)-chloromethyl]-1-methylbenzene
CID 65307334
4-bromo-1-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-2-fluorobenzene
CID 66257841
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
CID 63434490
1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 63428656
[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine
CID 66258782
4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 82891392
2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55200035
2-(1-bromo-2,2-dimethylbutyl)-1,4-dimethylbenzene
CID 63442120

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene (CID 66258234) is 2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene is CCC(C)(C)c1ccc(C(Cl)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene?
The InChIKey is MRCKAAZLICGQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl/c1-6-20(4,5)17-11-9-16(10-12-17)19(21)18-13-14(2)7-8-15(18)3/h7-13,19H,6H2,1-5H3.
What are the key properties of 2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene?
2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene has a molecular weight of 300.87 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene is sourced from PubChem (CID 66258234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).