3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole

C22H18INO — CID 11328100

IUPAC3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole
SMILESCOc1cccc(Cn2cc(-c3ccccc3I)c3ccccc32)c1
InChIInChI=1S/C22H18INO/c1-25-17-8-6-7-16(13-17)14-24-15-20(18-9-2-4-11-21(18)23)19-10-3-5-12-22(19)24/h2-13,15H,14H2,1H3
InChIKeyAGPWNMGRIXOBPL-UHFFFAOYSA-N
MW439.30 g/mol
LogP5.97
Rot. Bonds4

About 3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole

3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole (PubChem CID 11328100) has the molecular formula C22H18INO and a molecular weight of 439.30 g/mol. Its IUPAC name is 3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole.

Molecular Properties

Compound Name3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole
PubChem CID11328100
Molecular FormulaC22H18INO
Molecular Weight439.30 g/mol
Exact Mass439.04
IUPAC Name3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole
SMILESCOc1cccc(Cn2cc(-c3ccccc3I)c3ccccc32)c1
InChIInChI=1S/C22H18INO/c1-25-17-8-6-7-16(13-17)14-24-15-20(18-9-2-4-11-21(18)23)19-10-3-5-12-22(19)24/h2-13,15H,14H2,1H3
InChIKeyAGPWNMGRIXOBPL-UHFFFAOYSA-N
XLogP5.97
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.97
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-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
1-benzyl-3-(3,5-dimethoxyphenyl)indole
CID 66552988
3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2137227
(2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 91073519
chloro (2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoate
CID 68812855
8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2135011
8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
CID 2135990
1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
CID 25140580
3-(4-chlorophenyl)-8-methoxy-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2135362
N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide
CID 164781427
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 154688026
1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
CID 166984969

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole?
The IUPAC name of 3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole (CID 11328100) is 3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole.
What is the SMILES notation for 3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole?
The canonical SMILES for 3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole is COc1cccc(Cn2cc(-c3ccccc3I)c3ccccc32)c1.
What is the InChIKey of 3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole?
The InChIKey is AGPWNMGRIXOBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18INO/c1-25-17-8-6-7-16(13-17)14-24-15-20(18-9-2-4-11-21(18)23)19-10-3-5-12-22(19)24/h2-13,15H,14H2,1H3.
What are the key properties of 3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole?
3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole has a molecular weight of 439.30 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole is sourced from PubChem (CID 11328100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).