2-ethoxy-6-iodo-4-methylphenol

C9H11IO2 — CID 131395873

IUPAC2-ethoxy-6-iodo-4-methylphenol
SMILESCCOc1cc(C)cc(I)c1O
InChIInChI=1S/C9H11IO2/c1-3-12-8-5-6(2)4-7(10)9(8)11/h4-5,11H,3H2,1-2H3
InChIKeyCVNOAWRRBMCZFM-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.70
Rot. Bonds2

About 2-ethoxy-6-iodo-4-methylphenol

2-ethoxy-6-iodo-4-methylphenol (PubChem CID 131395873) has the molecular formula C9H11IO2 and a molecular weight of 278.09 g/mol. Its IUPAC name is 2-ethoxy-6-iodo-4-methylphenol.

Molecular Properties

Compound Name2-ethoxy-6-iodo-4-methylphenol
PubChem CID131395873
Molecular FormulaC9H11IO2
Molecular Weight278.09 g/mol
Exact Mass277.98
IUPAC Name2-ethoxy-6-iodo-4-methylphenol
SMILESCCOc1cc(C)cc(I)c1O
InChIInChI=1S/C9H11IO2/c1-3-12-8-5-6(2)4-7(10)9(8)11/h4-5,11H,3H2,1-2H3
InChIKeyCVNOAWRRBMCZFM-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 52.70
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-methoxy-4-methylphenol
CID 125485812
2,6-diiodo-4-methylphenol
CID 4541084
methyl 3-ethoxy-4-hydroxy-5-iodobenzoate
CID 90422929
2-ethoxy-6-iodophenol
CID 171366674
2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol
CID 2179477
1-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-3-ethylthiourea
CID 137168386
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-4-methylbenzamide
CID 137068277
(5Z)-2-amino-5-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-1,3-thiazol-4-one
CID 1369204
4-[(3-chloro-4-methylanilino)methyl]-2-ethoxy-6-iodophenol
CID 126127801
1-ethoxy-3-methoxy-2,5-dimethylbenzene
CID 59933516
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-ethoxy-4-hydroxy-5-iodophenyl)methanethione
CID 137129262
2-[(5E)-5-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 126379135

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-iodo-4-methylphenol?
The IUPAC name of 2-ethoxy-6-iodo-4-methylphenol (CID 131395873) is 2-ethoxy-6-iodo-4-methylphenol.
What is the SMILES notation for 2-ethoxy-6-iodo-4-methylphenol?
The canonical SMILES for 2-ethoxy-6-iodo-4-methylphenol is CCOc1cc(C)cc(I)c1O.
What is the InChIKey of 2-ethoxy-6-iodo-4-methylphenol?
The InChIKey is CVNOAWRRBMCZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO2/c1-3-12-8-5-6(2)4-7(10)9(8)11/h4-5,11H,3H2,1-2H3.
What are the key properties of 2-ethoxy-6-iodo-4-methylphenol?
2-ethoxy-6-iodo-4-methylphenol has a molecular weight of 278.09 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-iodo-4-methylphenol is sourced from PubChem (CID 131395873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).