1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene

C15H23IO4 — CID 24741912

IUPAC1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene
SMILESCCOCOc1c(C)c(C)c(OCOCC)c(I)c1C
InChIInChI=1S/C15H23IO4/c1-6-17-8-19-14-10(3)11(4)15(13(16)12(14)5)20-9-18-7-2/h6-9H2,1-5H3
InChIKeyUECVERBHKPPSPY-UHFFFAOYSA-N
MW394.25 g/mol
LogP3.96
Rot. Bonds8

About 1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene

1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene (PubChem CID 24741912) has the molecular formula C15H23IO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is 1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene.

Molecular Properties

Compound Name1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene
PubChem CID24741912
Molecular FormulaC15H23IO4
Molecular Weight394.25 g/mol
Exact Mass394.06
IUPAC Name1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene
SMILESCCOCOc1c(C)c(C)c(OCOCC)c(I)c1C
InChIInChI=1S/C15H23IO4/c1-6-17-8-19-14-10(3)11(4)15(13(16)12(14)5)20-9-18-7-2/h6-9H2,1-5H3
InChIKeyUECVERBHKPPSPY-UHFFFAOYSA-N
XLogP3.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene
CID 58773897
1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene
CID 155284614
5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene
CID 67625955
1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 11822906
[2-(ethoxymethoxy)-3,5-diiodophenyl]methanol
CID 166021552
ethoxymethoxymethanamine
CID 23400789
3-(ethoxymethoxy)-4-iodonaphthalene-2-carboxylic acid
CID 176641560
1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene
CID 107745815
2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene
CID 150871018
1,4-bis[2-(ethoxymethoxy)-3-iodophenyl]butane-2,3-diol
CID 172834357
2-(ethoxymethoxy)-3-[3-(ethoxymethoxy)-4-formyl-5-iodonaphthalen-2-yl]-8-methylnaphthalene-1-carbaldehyde
CID 176847885
1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 91426597

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene?
The IUPAC name of 1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene (CID 24741912) is 1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene.
What is the SMILES notation for 1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene?
The canonical SMILES for 1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene is CCOCOc1c(C)c(C)c(OCOCC)c(I)c1C.
What is the InChIKey of 1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene?
The InChIKey is UECVERBHKPPSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IO4/c1-6-17-8-19-14-10(3)11(4)15(13(16)12(14)5)20-9-18-7-2/h6-9H2,1-5H3.
What are the key properties of 1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene?
1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene has a molecular weight of 394.25 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene is sourced from PubChem (CID 24741912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).