2-ethyl-1-(iodomethyl)-4-methylbenzene

C10H13I — CID 91883824

IUPAC2-ethyl-1-(iodomethyl)-4-methylbenzene
SMILESCCc1cc(C)ccc1CI
InChIInChI=1S/C10H13I/c1-3-9-6-8(2)4-5-10(9)7-11/h4-6H,3,7H2,1-2H3
InChIKeyVKCPTSWRLLJFCW-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.49
Rot. Bonds2

About 2-ethyl-1-(iodomethyl)-4-methylbenzene

2-ethyl-1-(iodomethyl)-4-methylbenzene (PubChem CID 91883824) has the molecular formula C10H13I and a molecular weight of 260.12 g/mol. Its IUPAC name is 2-ethyl-1-(iodomethyl)-4-methylbenzene.

Molecular Properties

Compound Name2-ethyl-1-(iodomethyl)-4-methylbenzene
PubChem CID91883824
Molecular FormulaC10H13I
Molecular Weight260.12 g/mol
Exact Mass260.01
IUPAC Name2-ethyl-1-(iodomethyl)-4-methylbenzene
SMILESCCc1cc(C)ccc1CI
InChIInChI=1S/C10H13I/c1-3-9-6-8(2)4-5-10(9)7-11/h4-6H,3,7H2,1-2H3
InChIKeyVKCPTSWRLLJFCW-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-diethyl-4-methylbenzene;methane
CID 174446118
2-[2-(iodomethyl)-5-methylphenyl]acetic acid
CID 91883927
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
2-(2-ethyl-4-methylphenyl)acetaldehyde
CID 88578467
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
3-ethyl-4-(iodomethyl)benzoic acid
CID 91883748
2-(2-ethyl-4-methylphenyl)-N-methylethanamine
CID 142812232
2-ethyl-5-methylbenzenethiol
CID 91873863
1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane
CID 143738826
2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride
CID 167684728
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(iodomethyl)-4-methylbenzene?
The IUPAC name of 2-ethyl-1-(iodomethyl)-4-methylbenzene (CID 91883824) is 2-ethyl-1-(iodomethyl)-4-methylbenzene.
What is the SMILES notation for 2-ethyl-1-(iodomethyl)-4-methylbenzene?
The canonical SMILES for 2-ethyl-1-(iodomethyl)-4-methylbenzene is CCc1cc(C)ccc1CI.
What is the InChIKey of 2-ethyl-1-(iodomethyl)-4-methylbenzene?
The InChIKey is VKCPTSWRLLJFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13I/c1-3-9-6-8(2)4-5-10(9)7-11/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-1-(iodomethyl)-4-methylbenzene?
2-ethyl-1-(iodomethyl)-4-methylbenzene has a molecular weight of 260.12 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(iodomethyl)-4-methylbenzene is sourced from PubChem (CID 91883824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).