1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane

C13H20I2O2 — CID 142841816

IUPAC1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane
SMILESCC.Cc1cc(OCCI)ccc1OCCI
InChIInChI=1S/C11H14I2O2.C2H6/c1-9-8-10(14-6-4-12)2-3-11(9)15-7-5-13;1-2/h2-3,8H,4-7H2,1H3;1-2H3
InChIKeyIAPNHRSLIOYMBO-UHFFFAOYSA-N
MW462.11 g/mol
LogP4.65
Rot. Bonds6

About 1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane

1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane (PubChem CID 142841816) has the molecular formula C13H20I2O2 and a molecular weight of 462.11 g/mol. Its IUPAC name is 1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane.

Molecular Properties

Compound Name1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane
PubChem CID142841816
Molecular FormulaC13H20I2O2
Molecular Weight462.11 g/mol
Exact Mass461.96
IUPAC Name1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane
SMILESCC.Cc1cc(OCCI)ccc1OCCI
InChIInChI=1S/C11H14I2O2.C2H6/c1-9-8-10(14-6-4-12)2-3-11(9)15-7-5-13;1-2/h2-3,8H,4-7H2,1H3;1-2H3
InChIKeyIAPNHRSLIOYMBO-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.11
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxy-3-methylphenoxy)-N-methylethanamine
CID 123497187
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
tris(3-methyl-4-propoxyphenyl) borate
CID 70231539
CID 69201774
CID 69201774
2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
CID 67394118
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849
4-[4-(2-iodoethoxy)-3-methylphenyl]-2-phenoxybenzoic acid
CID 147938385
1,2-dimethyl-4-propoxybenzene
CID 23549082
4-bromo-1-(2-bromoethoxy)-2-methylbenzene
CID 63216698

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane?
The IUPAC name of 1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane (CID 142841816) is 1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane.
What is the SMILES notation for 1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane?
The canonical SMILES for 1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane is CC.Cc1cc(OCCI)ccc1OCCI.
What is the InChIKey of 1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane?
The InChIKey is IAPNHRSLIOYMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14I2O2.C2H6/c1-9-8-10(14-6-4-12)2-3-11(9)15-7-5-13;1-2/h2-3,8H,4-7H2,1H3;1-2H3.
What are the key properties of 1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane?
1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane has a molecular weight of 462.11 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-iodoethoxy)-2-methylbenzene;ethane is sourced from PubChem (CID 142841816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).