1-(3-amino-5-iodo-4-methoxyphenyl)ethanone

C9H10INO2 — CID 171027159

IUPAC1-(3-amino-5-iodo-4-methoxyphenyl)ethanone
SMILESCOc1c(N)cc(C(C)=O)cc1I
InChIInChI=1S/C9H10INO2/c1-5(12)6-3-7(10)9(13-2)8(11)4-6/h3-4H,11H2,1-2H3
InChIKeyUPLCORNNIDWARS-UHFFFAOYSA-N
MW291.09 g/mol
LogP2.08
Rot. Bonds2

About 1-(3-amino-5-iodo-4-methoxyphenyl)ethanone

1-(3-amino-5-iodo-4-methoxyphenyl)ethanone (PubChem CID 171027159) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is 1-(3-amino-5-iodo-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-iodo-4-methoxyphenyl)ethanone
PubChem CID171027159
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name1-(3-amino-5-iodo-4-methoxyphenyl)ethanone
SMILESCOc1c(N)cc(C(C)=O)cc1I
InChIInChI=1S/C9H10INO2/c1-5(12)6-3-7(10)9(13-2)8(11)4-6/h3-4H,11H2,1-2H3
InChIKeyUPLCORNNIDWARS-UHFFFAOYSA-N
XLogP2.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-5-bromo-4-methoxyphenyl)ethanone
CID 14734843
1-(3-amino-4-hydroxy-5-iodophenyl)ethanone
CID 171026761
1-[4-(3-amino-4-methoxyphenoxy)-3,5-diiodophenyl]ethanone
CID 87669253
1-[4-(2-amino-4-methoxyphenoxy)-3,5-diiodophenyl]ethanone
CID 25064589
1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone
CID 70366320
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
1-[3-iodo-5-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 131309524
1-[4-(1-ethoxyethoxy)-3-iodo-5-methoxyphenyl]ethanone
CID 162497626
1-(3-amino-5-methoxy-4-nitrophenyl)ethanone
CID 171023254
3-acetyloxy-5-amino-4-methoxybenzoic acid;hydrochloride
CID 131859893
4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859
1-(3-amino-4,5-dimethylphenyl)ethanone
CID 86160424

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-iodo-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-amino-5-iodo-4-methoxyphenyl)ethanone (CID 171027159) is 1-(3-amino-5-iodo-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-5-iodo-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-amino-5-iodo-4-methoxyphenyl)ethanone is COc1c(N)cc(C(C)=O)cc1I.
What is the InChIKey of 1-(3-amino-5-iodo-4-methoxyphenyl)ethanone?
The InChIKey is UPLCORNNIDWARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c1-5(12)6-3-7(10)9(13-2)8(11)4-6/h3-4H,11H2,1-2H3.
What are the key properties of 1-(3-amino-5-iodo-4-methoxyphenyl)ethanone?
1-(3-amino-5-iodo-4-methoxyphenyl)ethanone has a molecular weight of 291.09 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-iodo-4-methoxyphenyl)ethanone is sourced from PubChem (CID 171027159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).