2-ethoxy-6-iodophenol

C8H9IO2 — CID 171366674

IUPAC2-ethoxy-6-iodophenol
SMILESCCOc1cccc(I)c1O
InChIInChI=1S/C8H9IO2/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5,10H,2H2,1H3
InChIKeyAVDIQTREEUXGLK-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.40
Rot. Bonds2

About 2-ethoxy-6-iodophenol

2-ethoxy-6-iodophenol (PubChem CID 171366674) has the molecular formula C8H9IO2 and a molecular weight of 264.06 g/mol. Its IUPAC name is 2-ethoxy-6-iodophenol.

Molecular Properties

Compound Name2-ethoxy-6-iodophenol
PubChem CID171366674
Molecular FormulaC8H9IO2
Molecular Weight264.06 g/mol
Exact Mass263.96
IUPAC Name2-ethoxy-6-iodophenol
SMILESCCOc1cccc(I)c1O
InChIInChI=1S/C8H9IO2/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5,10H,2H2,1H3
InChIKeyAVDIQTREEUXGLK-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-methylphenol
CID 14911944
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-ethoxy-6-[(1S)-1-hydroxyethyl]phenol
CID 130740621
2-ethoxy-6-[(1R)-1-hydroxyethyl]phenol
CID 130649136
3-ethoxy-2-hydroxybenzoic acid
CID 13026922
2-ethoxy-1,3-diiodobenzene
CID 165359155
2-ethoxy-6-iodo-4-methylphenol
CID 131395873
2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride
CID 171216004
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
1-ethoxy-3-iodo-2-nitrobenzene
CID 135336837
2-ethoxy-6-(3-sulfanylpropyl)phenol
CID 83930701
2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 67418019

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-iodophenol?
The IUPAC name of 2-ethoxy-6-iodophenol (CID 171366674) is 2-ethoxy-6-iodophenol.
What is the SMILES notation for 2-ethoxy-6-iodophenol?
The canonical SMILES for 2-ethoxy-6-iodophenol is CCOc1cccc(I)c1O.
What is the InChIKey of 2-ethoxy-6-iodophenol?
The InChIKey is AVDIQTREEUXGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5,10H,2H2,1H3.
What are the key properties of 2-ethoxy-6-iodophenol?
2-ethoxy-6-iodophenol has a molecular weight of 264.06 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-iodophenol is sourced from PubChem (CID 171366674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).