1,3-diethyl-2-iodobenzene

C10H13I — CID 18690512

IUPAC1,3-diethyl-2-iodobenzene
SMILESCCc1cccc(CC)c1I
InChIInChI=1S/C10H13I/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3
InChIKeyVYFIQNFCPBTUGW-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.42
Rot. Bonds2

About 1,3-diethyl-2-iodobenzene

1,3-diethyl-2-iodobenzene (PubChem CID 18690512) has the molecular formula C10H13I and a molecular weight of 260.12 g/mol. Its IUPAC name is 1,3-diethyl-2-iodobenzene.

Molecular Properties

Compound Name1,3-diethyl-2-iodobenzene
PubChem CID18690512
Molecular FormulaC10H13I
Molecular Weight260.12 g/mol
Exact Mass260.01
IUPAC Name1,3-diethyl-2-iodobenzene
SMILESCCc1cccc(CC)c1I
InChIInChI=1S/C10H13I/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3
InChIKeyVYFIQNFCPBTUGW-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-diethyl-2-iodobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;1,3-diethyl-2-iodobenzene
CID 175748733
1-(3-ethyl-2-iodophenyl)propan-2-one
CID 118824514
2-(3-ethyl-2-iodophenyl)propanal
CID 134639687
1,2-diethylbenzene;hydrobromide
CID 174973685
1-ethyl-2-iodo-3-methylbenzene;2-ethyl-6-methylbenzoic acid;methane
CID 160931095
1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
CID 130140887
2-tert-butyl-1-ethyl-3-iodobenzene
CID 146636701
2,6-diethylaniline;iron(2+)
CID 175873065
ethane;2-ethylaniline
CID 90841248
2,6-diethylaniline;propane
CID 174429495
1,5-diethyl-3-iodo-2,4-dimethylbenzene
CID 175748743
(3-ethyl-2-fluorophenyl)hydrazine
CID 130780549

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-iodobenzene?
The IUPAC name of 1,3-diethyl-2-iodobenzene (CID 18690512) is 1,3-diethyl-2-iodobenzene.
What is the SMILES notation for 1,3-diethyl-2-iodobenzene?
The canonical SMILES for 1,3-diethyl-2-iodobenzene is CCc1cccc(CC)c1I.
What is the InChIKey of 1,3-diethyl-2-iodobenzene?
The InChIKey is VYFIQNFCPBTUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13I/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-2-iodobenzene?
1,3-diethyl-2-iodobenzene has a molecular weight of 260.12 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-iodobenzene is sourced from PubChem (CID 18690512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).