2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene

C18H21Cl — CID 55200035

IUPAC2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Cl)c2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H21Cl/c1-11-6-7-13(3)16(10-11)18(19)17-14(4)8-12(2)9-15(17)5/h6-10,18H,1-5H3
InChIKeyUSLVBGYGVBTFFZ-UHFFFAOYSA-N
MW272.82 g/mol
LogP5.56
Rot. Bonds2

About 2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene

2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 55200035) has the molecular formula C18H21Cl and a molecular weight of 272.82 g/mol. Its IUPAC name is 2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID55200035
Molecular FormulaC18H21Cl
Molecular Weight272.82 g/mol
Exact Mass272.13
IUPAC Name2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Cl)c2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H21Cl/c1-11-6-7-13(3)16(10-11)18(19)17-14(4)8-12(2)9-15(17)5/h6-10,18H,1-5H3
InChIKeyUSLVBGYGVBTFFZ-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.82
LogP ≤ 55.56
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

2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879841
2-[chloro-(2,3-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 63431805
2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 63431338
2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene
CID 63431891
2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879793
2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 55197746
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447
2-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3,5-trimethylbenzene
CID 63431799
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 106862883
2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 63429668
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
CID 63434490
2-chloro-2-(2,5-dimethylphenyl)acetyl chloride
CID 150440716

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene (CID 55200035) is 2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(C(Cl)c2cc(C)ccc2C)c(C)c1.
What is the InChIKey of 2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is USLVBGYGVBTFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl/c1-11-6-7-13(3)16(10-11)18(19)17-14(4)8-12(2)9-15(17)5/h6-10,18H,1-5H3.
What are the key properties of 2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene?
2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 272.82 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 55200035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).