1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene

C9H10FIO2 — CID 59838060

IUPAC1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene
SMILESCCOc1cc(I)c(F)cc1OC
InChIInChI=1S/C9H10FIO2/c1-3-13-9-5-7(11)6(10)4-8(9)12-2/h4-5H,3H2,1-2H3
InChIKeyVVYOTTZNQZLJPW-UHFFFAOYSA-N
MW296.08 g/mol
LogP2.84
Rot. Bonds3

About 1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene

1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene (PubChem CID 59838060) has the molecular formula C9H10FIO2 and a molecular weight of 296.08 g/mol. Its IUPAC name is 1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene.

Molecular Properties

Compound Name1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene
PubChem CID59838060
Molecular FormulaC9H10FIO2
Molecular Weight296.08 g/mol
Exact Mass295.97
IUPAC Name1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene
SMILESCCOc1cc(I)c(F)cc1OC
InChIInChI=1S/C9H10FIO2/c1-3-13-9-5-7(11)6(10)4-8(9)12-2/h4-5H,3H2,1-2H3
InChIKeyVVYOTTZNQZLJPW-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
2-ethoxy-4-fluoro-5-iodobenzaldehyde
CID 131313075
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
1-bromo-4,5-diethoxy-2-iodobenzene
CID 81479058
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde
CID 122645048
1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447638
1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone
CID 131310764
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene?
The IUPAC name of 1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene (CID 59838060) is 1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene.
What is the SMILES notation for 1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene?
The canonical SMILES for 1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene is CCOc1cc(I)c(F)cc1OC.
What is the InChIKey of 1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene?
The InChIKey is VVYOTTZNQZLJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIO2/c1-3-13-9-5-7(11)6(10)4-8(9)12-2/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene?
1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene has a molecular weight of 296.08 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene is sourced from PubChem (CID 59838060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).