1-(2-iodo-6-methoxy-3-methylphenyl)ethanone

C10H11IO2 — CID 171010641

IUPAC1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C)c(I)c1C(C)=O
InChIInChI=1S/C10H11IO2/c1-6-4-5-8(13-3)9(7(2)12)10(6)11/h4-5H,1-3H3
InChIKeyCHLOTYFCQRZJAO-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.81
Rot. Bonds2

About 1-(2-iodo-6-methoxy-3-methylphenyl)ethanone

1-(2-iodo-6-methoxy-3-methylphenyl)ethanone (PubChem CID 171010641) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 1-(2-iodo-6-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
PubChem CID171010641
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C)c(I)c1C(C)=O
InChIInChI=1S/C10H11IO2/c1-6-4-5-8(13-3)9(7(2)12)10(6)11/h4-5H,1-3H3
InChIKeyCHLOTYFCQRZJAO-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.81
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-(3-ethoxy-2-iodo-6-methylphenyl)ethanone
CID 171013372
2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548
1-[6-methoxy-3-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 170996815
3-iodo-1,2-dimethoxy-4-methylbenzene
CID 131118438
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
CID 84658391
2-acetyl-6-iodo-3-methoxybenzaldehyde
CID 171015394
1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
1-(6-fluoro-3-methoxy-2-methylphenyl)ethanone
CID 84658392
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 131309529
2-iodo-3,6-dimethylbenzoyl chloride
CID 171002077
3-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171021510

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-6-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 1-(2-iodo-6-methoxy-3-methylphenyl)ethanone (CID 171010641) is 1-(2-iodo-6-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-iodo-6-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 1-(2-iodo-6-methoxy-3-methylphenyl)ethanone is COc1ccc(C)c(I)c1C(C)=O.
What is the InChIKey of 1-(2-iodo-6-methoxy-3-methylphenyl)ethanone?
The InChIKey is CHLOTYFCQRZJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c1-6-4-5-8(13-3)9(7(2)12)10(6)11/h4-5H,1-3H3.
What are the key properties of 1-(2-iodo-6-methoxy-3-methylphenyl)ethanone?
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone has a molecular weight of 290.10 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-6-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 171010641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).