1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone

C9H9IO3 — CID 57071354

IUPAC1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone
SMILESCC(=O)c1ccc(OCO)c(I)c1
InChIInChI=1S/C9H9IO3/c1-6(12)7-2-3-9(13-5-11)8(10)4-7/h2-4,11H,5H2,1H3
InChIKeyFJARIABRZODHAO-UHFFFAOYSA-N
MW292.07 g/mol
LogP1.82
Rot. Bonds3

About 1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone

1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone (PubChem CID 57071354) has the molecular formula C9H9IO3 and a molecular weight of 292.07 g/mol. Its IUPAC name is 1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone
PubChem CID57071354
Molecular FormulaC9H9IO3
Molecular Weight292.07 g/mol
Exact Mass291.96
IUPAC Name1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone
SMILESCC(=O)c1ccc(OCO)c(I)c1
InChIInChI=1S/C9H9IO3/c1-6(12)7-2-3-9(13-5-11)8(10)4-7/h2-4,11H,5H2,1H3
InChIKeyFJARIABRZODHAO-UHFFFAOYSA-N
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-iodo-4-propan-2-yloxyphenyl)ethanone
CID 153246357
methyl 2-(4-acetyl-2-iodophenyl)acetate
CID 121231892
4-acetyl-2-iodophenolate
CID 154609369
(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone
CID 25178443
4-hexoxy-3-iodobenzoic acid
CID 44828901
1-[4-iodo-3-(trifluoromethoxy)phenyl]ethanone
CID 170909672
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone
CID 173058380
methyl 2-(4-acetyl-2-bromophenoxy)acetate
CID 66868355
1-[2,6-bis(hydroxymethoxy)phenyl]ethanone
CID 69072315

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone?
The IUPAC name of 1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone (CID 57071354) is 1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone.
What is the SMILES notation for 1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone?
The canonical SMILES for 1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone is CC(=O)c1ccc(OCO)c(I)c1.
What is the InChIKey of 1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone?
The InChIKey is FJARIABRZODHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO3/c1-6(12)7-2-3-9(13-5-11)8(10)4-7/h2-4,11H,5H2,1H3.
What are the key properties of 1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone?
1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone has a molecular weight of 292.07 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone is sourced from PubChem (CID 57071354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).