4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol

C11H15IO4 — CID 166892200

IUPAC4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol
SMILESCCOC(C)Oc1cc(OC)c(O)cc1I
InChIInChI=1S/C11H15IO4/c1-4-15-7(2)16-10-6-11(14-3)9(13)5-8(10)12/h5-7,13H,4H2,1-3H3
InChIKeyFSPMDKNWAYXGLV-UHFFFAOYSA-N
MW338.14 g/mol
LogP2.77
Rot. Bonds5

About 4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol

4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol (PubChem CID 166892200) has the molecular formula C11H15IO4 and a molecular weight of 338.14 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol
PubChem CID166892200
Molecular FormulaC11H15IO4
Molecular Weight338.14 g/mol
Exact Mass338.00
IUPAC Name4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol
SMILESCCOC(C)Oc1cc(OC)c(O)cc1I
InChIInChI=1S/C11H15IO4/c1-4-15-7(2)16-10-6-11(14-3)9(13)5-8(10)12/h5-7,13H,4H2,1-3H3
InChIKeyFSPMDKNWAYXGLV-UHFFFAOYSA-N
XLogP2.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2,5-dimethoxyphenol
CID 10850321
1-[4-(1-ethoxyethoxy)-3-iodo-5-methoxyphenyl]ethanone
CID 162497626
(4-hydroxy-2-iodo-5-methoxyphenyl) acetate
CID 163968493
2-[4-(1-ethoxyethoxy)-3-iodophenyl]propan-2-yl 2-bromoacetate
CID 177244347
1-[4-(1-ethoxyethoxy)-3-iodo-5-methoxyphenyl]ethyl 2-ethyl-2,3,3-trimethylbutanoate
CID 166890346
5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005
[4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol
CID 176847846
5-methoxybenzene-1,2,4-triol
CID 20551665
1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene
CID 174187739
lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513827
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol?
The IUPAC name of 4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol (CID 166892200) is 4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol.
What is the SMILES notation for 4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol?
The canonical SMILES for 4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol is CCOC(C)Oc1cc(OC)c(O)cc1I.
What is the InChIKey of 4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol?
The InChIKey is FSPMDKNWAYXGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO4/c1-4-15-7(2)16-10-6-11(14-3)9(13)5-8(10)12/h5-7,13H,4H2,1-3H3.
What are the key properties of 4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol?
4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol has a molecular weight of 338.14 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol is sourced from PubChem (CID 166892200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).