1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone

C16H15IO2 — CID 91864314

IUPAC1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(I)c2)cc1C
InChIInChI=1S/C16H15IO2/c1-11-8-15(6-7-16(11)12(2)18)19-10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyAUCXWOHFXUUZND-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.38
Rot. Bonds4

About 1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone

1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone (PubChem CID 91864314) has the molecular formula C16H15IO2 and a molecular weight of 366.20 g/mol. Its IUPAC name is 1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone
PubChem CID91864314
Molecular FormulaC16H15IO2
Molecular Weight366.20 g/mol
Exact Mass366.01
IUPAC Name1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(I)c2)cc1C
InChIInChI=1S/C16H15IO2/c1-11-8-15(6-7-16(11)12(2)18)19-10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyAUCXWOHFXUUZND-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.38
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-[2-bromo-4-[(3-iodophenyl)methoxy]phenyl]ethanone
CID 91863535
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 91863786
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 91863532
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
2-[3-[(4-acetyl-3-bromophenoxy)methyl]phenyl]acetic acid
CID 91863540
1-[4-(3-bromopropoxy)-2-methylphenyl]ethanone
CID 11777949
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone?
The IUPAC name of 1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone (CID 91864314) is 1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone is CC(=O)c1ccc(OCc2cccc(I)c2)cc1C.
What is the InChIKey of 1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone?
The InChIKey is AUCXWOHFXUUZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO2/c1-11-8-15(6-7-16(11)12(2)18)19-10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone?
1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone has a molecular weight of 366.20 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone is sourced from PubChem (CID 91864314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).