2-(chloromethyl)-1,3,5-trimethylbenzene;methane

C11H17Cl — CID 158287443

IUPAC2-(chloromethyl)-1,3,5-trimethylbenzene;methane
SMILESC.Cc1cc(C)c(CCl)c(C)c1
InChIInChI=1S/C10H13Cl.CH4/c1-7-4-8(2)10(6-11)9(3)5-7;/h4-5H,6H2,1-3H3;1H4
InChIKeyGKYIVTRXXLOFQP-UHFFFAOYSA-N
MW184.71 g/mol
LogP3.99
Rot. Bonds1

About 2-(chloromethyl)-1,3,5-trimethylbenzene;methane

2-(chloromethyl)-1,3,5-trimethylbenzene;methane (PubChem CID 158287443) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 2-(chloromethyl)-1,3,5-trimethylbenzene;methane.

Molecular Properties

Compound Name2-(chloromethyl)-1,3,5-trimethylbenzene;methane
PubChem CID158287443
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name2-(chloromethyl)-1,3,5-trimethylbenzene;methane
SMILESC.Cc1cc(C)c(CCl)c(C)c1
InChIInChI=1S/C10H13Cl.CH4/c1-7-4-8(2)10(6-11)9(3)5-7;/h4-5H,6H2,1-3H3;1H4
InChIKeyGKYIVTRXXLOFQP-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 53.99
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 2-(chloromethyl)-1,3,5-trimethylbenzene;methane?
The IUPAC name of 2-(chloromethyl)-1,3,5-trimethylbenzene;methane (CID 158287443) is 2-(chloromethyl)-1,3,5-trimethylbenzene;methane.
What is the SMILES notation for 2-(chloromethyl)-1,3,5-trimethylbenzene;methane?
The canonical SMILES for 2-(chloromethyl)-1,3,5-trimethylbenzene;methane is C.Cc1cc(C)c(CCl)c(C)c1.
What is the InChIKey of 2-(chloromethyl)-1,3,5-trimethylbenzene;methane?
The InChIKey is GKYIVTRXXLOFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl.CH4/c1-7-4-8(2)10(6-11)9(3)5-7;/h4-5H,6H2,1-3H3;1H4.
What are the key properties of 2-(chloromethyl)-1,3,5-trimethylbenzene;methane?
2-(chloromethyl)-1,3,5-trimethylbenzene;methane has a molecular weight of 184.71 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1,3,5-trimethylbenzene;methane is sourced from PubChem (CID 158287443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).