1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone

C10H10INO4 — CID 171033703

IUPAC1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone
SMILESCCOc1cc([N+](=O)[O-])c(I)cc1C(C)=O
InChIInChI=1S/C10H10INO4/c1-3-16-10-5-9(12(14)15)8(11)4-7(10)6(2)13/h4-5H,3H2,1-2H3
InChIKeySVNPNZDUWLHBHA-UHFFFAOYSA-N
MW335.10 g/mol
LogP2.80
Rot. Bonds4

About 1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone

1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone (PubChem CID 171033703) has the molecular formula C10H10INO4 and a molecular weight of 335.10 g/mol. Its IUPAC name is 1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone
PubChem CID171033703
Molecular FormulaC10H10INO4
Molecular Weight335.10 g/mol
Exact Mass334.97
IUPAC Name1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone
SMILESCCOc1cc([N+](=O)[O-])c(I)cc1C(C)=O
InChIInChI=1S/C10H10INO4/c1-3-16-10-5-9(12(14)15)8(11)4-7(10)6(2)13/h4-5H,3H2,1-2H3
InChIKeySVNPNZDUWLHBHA-UHFFFAOYSA-N
XLogP2.80
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxy-4-fluoro-5-nitrophenyl)ethanone
CID 171013229
4-acetyl-5-ethoxy-2-nitrobenzaldehyde
CID 171016598
1-(5-bromo-4-ethoxy-2-nitrophenyl)ethanone
CID 171000695
4-acetyl-2-ethoxy-5-nitrobenzaldehyde
CID 171015939
1-(3-ethoxy-2-iodo-4-nitrophenyl)ethanone
CID 171016537
2-bromo-1-(5-iodo-2-methoxy-4-nitrophenyl)ethanone
CID 171012232
1-(2-ethoxy-5-methyl-3-nitrophenyl)ethanone
CID 96828054
2-acetyl-5-ethoxy-4-iodobenzonitrile
CID 131546917
1-(2-ethoxy-4-iodophenyl)ethanone
CID 170996658
5-acetamido-4-ethoxy-2-nitrobenzoic acid
CID 56605207
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
1-(2,5-diethoxyphenyl)ethanone
CID 4075332

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone?
The IUPAC name of 1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone (CID 171033703) is 1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone is CCOc1cc([N+](=O)[O-])c(I)cc1C(C)=O.
What is the InChIKey of 1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone?
The InChIKey is SVNPNZDUWLHBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO4/c1-3-16-10-5-9(12(14)15)8(11)4-7(10)6(2)13/h4-5H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone?
1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone has a molecular weight of 335.10 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone is sourced from PubChem (CID 171033703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).