4-ethyl-3-iodobenzene-1,2-diol

C8H9IO2 — CID 118010885

IUPAC4-ethyl-3-iodobenzene-1,2-diol
SMILESCCc1ccc(O)c(O)c1I
InChIInChI=1S/C8H9IO2/c1-2-5-3-4-6(10)8(11)7(5)9/h3-4,10-11H,2H2,1H3
InChIKeyTULARFQWKBNJSR-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.26
Rot. Bonds1

About 4-ethyl-3-iodobenzene-1,2-diol

4-ethyl-3-iodobenzene-1,2-diol (PubChem CID 118010885) has the molecular formula C8H9IO2 and a molecular weight of 264.06 g/mol. Its IUPAC name is 4-ethyl-3-iodobenzene-1,2-diol.

Molecular Properties

Compound Name4-ethyl-3-iodobenzene-1,2-diol
PubChem CID118010885
Molecular FormulaC8H9IO2
Molecular Weight264.06 g/mol
Exact Mass263.96
IUPAC Name4-ethyl-3-iodobenzene-1,2-diol
SMILESCCc1ccc(O)c(O)c1I
InChIInChI=1S/C8H9IO2/c1-2-5-3-4-6(10)8(11)7(5)9/h3-4,10-11H,2H2,1H3
InChIKeyTULARFQWKBNJSR-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-ethyl-3-iodobenzene-1,2-diol 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

2-(3,4-dihydroxy-2-iodophenyl)acetonitrile
CID 15133321
3-(chloromethyl)-4-ethylbenzene-1,2-diol
CID 154435867
benzene-1,2,3,4-tetrol;butan-2-one
CID 174644539
benzene-1,2,3,4-tetrol;methanol
CID 174976921
3-cyclohexyl-4-ethylbenzene-1,2-diol
CID 154435911
1,3-diethyl-2-iodobenzene
CID 18690512
3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol
CID 101302818
4-(2,4,5-triethylphenyl)benzene-1,2,3-triol
CID 101303385
3-(2,3,4-triethylphenyl)benzene-1,2,4-triol
CID 101303394
acetic acid;1,3-diethyl-2-iodobenzene
CID 175748733
3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol
CID 101303216
2,3-ditert-butyl-4-ethylphenol
CID 18994457

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-iodobenzene-1,2-diol?
The IUPAC name of 4-ethyl-3-iodobenzene-1,2-diol (CID 118010885) is 4-ethyl-3-iodobenzene-1,2-diol.
What is the SMILES notation for 4-ethyl-3-iodobenzene-1,2-diol?
The canonical SMILES for 4-ethyl-3-iodobenzene-1,2-diol is CCc1ccc(O)c(O)c1I.
What is the InChIKey of 4-ethyl-3-iodobenzene-1,2-diol?
The InChIKey is TULARFQWKBNJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2/c1-2-5-3-4-6(10)8(11)7(5)9/h3-4,10-11H,2H2,1H3.
What are the key properties of 4-ethyl-3-iodobenzene-1,2-diol?
4-ethyl-3-iodobenzene-1,2-diol has a molecular weight of 264.06 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-iodobenzene-1,2-diol is sourced from PubChem (CID 118010885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).