2-acetyl-6-iodo-3-methoxybenzaldehyde

C10H9IO3 — CID 171015394

IUPAC2-acetyl-6-iodo-3-methoxybenzaldehyde
SMILESCOc1ccc(I)c(C=O)c1C(C)=O
InChIInChI=1S/C10H9IO3/c1-6(13)10-7(5-12)8(11)3-4-9(10)14-2/h3-5H,1-2H3
InChIKeyFXFIVULBVUALFO-UHFFFAOYSA-N
MW304.08 g/mol
LogP2.31
Rot. Bonds3

About 2-acetyl-6-iodo-3-methoxybenzaldehyde

2-acetyl-6-iodo-3-methoxybenzaldehyde (PubChem CID 171015394) has the molecular formula C10H9IO3 and a molecular weight of 304.08 g/mol. Its IUPAC name is 2-acetyl-6-iodo-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-acetyl-6-iodo-3-methoxybenzaldehyde
PubChem CID171015394
Molecular FormulaC10H9IO3
Molecular Weight304.08 g/mol
Exact Mass303.96
IUPAC Name2-acetyl-6-iodo-3-methoxybenzaldehyde
SMILESCOc1ccc(I)c(C=O)c1C(C)=O
InChIInChI=1S/C10H9IO3/c1-6(13)10-7(5-12)8(11)3-4-9(10)14-2/h3-5H,1-2H3
InChIKeyFXFIVULBVUALFO-UHFFFAOYSA-N
XLogP2.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetyl-6-iodo-3-methylbenzaldehyde
CID 171015712
2-acetyl-3-bromo-6-methoxybenzaldehyde
CID 171009062
3-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171021510
1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 131309529
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641
3-acetyl-2-bromo-6-methoxybenzaldehyde
CID 171009224
(2-formyl-6-iodo-3-methoxyphenyl) N,N-diethylcarbamate
CID 46849284
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770
2-formyl-6-methoxy-3-methylbenzoyl chloride
CID 171022028
3-cyano-2-formyl-6-methoxybenzamide
CID 171013227
N-(2-formyl-6-methoxy-3-methylphenyl)acetamide
CID 84779440
2,4-diiodo-6-methoxybenzaldehyde
CID 119011495

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-iodo-3-methoxybenzaldehyde?
The IUPAC name of 2-acetyl-6-iodo-3-methoxybenzaldehyde (CID 171015394) is 2-acetyl-6-iodo-3-methoxybenzaldehyde.
What is the SMILES notation for 2-acetyl-6-iodo-3-methoxybenzaldehyde?
The canonical SMILES for 2-acetyl-6-iodo-3-methoxybenzaldehyde is COc1ccc(I)c(C=O)c1C(C)=O.
What is the InChIKey of 2-acetyl-6-iodo-3-methoxybenzaldehyde?
The InChIKey is FXFIVULBVUALFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO3/c1-6(13)10-7(5-12)8(11)3-4-9(10)14-2/h3-5H,1-2H3.
What are the key properties of 2-acetyl-6-iodo-3-methoxybenzaldehyde?
2-acetyl-6-iodo-3-methoxybenzaldehyde has a molecular weight of 304.08 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-iodo-3-methoxybenzaldehyde is sourced from PubChem (CID 171015394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).