2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone

C17H17IO2 — CID 63490949

IUPAC2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(I)cc1C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H17IO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-10-14(18)6-7-17(15)20-3/h4-8,10H,9H2,1-3H3
InChIKeyXBIAXWWMQJCJQQ-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.34
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone

2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone (PubChem CID 63490949) has the molecular formula C17H17IO2 and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone
PubChem CID63490949
Molecular FormulaC17H17IO2
Molecular Weight380.23 g/mol
Exact Mass380.03
IUPAC Name2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(I)cc1C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H17IO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-10-14(18)6-7-17(15)20-3/h4-8,10H,9H2,1-3H3
InChIKeyXBIAXWWMQJCJQQ-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.34
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

2-(4-iodophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114974195
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 63527693
1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 43339718
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43161666
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105083502
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738
1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
CID 65477472

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone (CID 63490949) is 2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone is COc1ccc(I)cc1C(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone?
The InChIKey is XBIAXWWMQJCJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-10-14(18)6-7-17(15)20-3/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone?
2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone has a molecular weight of 380.23 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone is sourced from PubChem (CID 63490949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).