(4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone

C17H14INO2 — CID 107360312

IUPAC(4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1cccc2c1c(C(=O)c1ccc(I)cc1)cn2C
InChIInChI=1S/C17H14INO2/c1-19-10-13(16-14(19)4-3-5-15(16)21-2)17(20)11-6-8-12(18)9-7-11/h3-10H,1-2H3
InChIKeyUSDRTDCERKVPMP-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.02
Rot. Bonds3

About (4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone

(4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone (PubChem CID 107360312) has the molecular formula C17H14INO2 and a molecular weight of 391.21 g/mol. Its IUPAC name is (4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone
PubChem CID107360312
Molecular FormulaC17H14INO2
Molecular Weight391.21 g/mol
Exact Mass391.01
IUPAC Name(4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1cccc2c1c(C(=O)c1ccc(I)cc1)cn2C
InChIInChI=1S/C17H14INO2/c1-19-10-13(16-14(19)4-3-5-15(16)21-2)17(20)11-6-8-12(18)9-7-11/h3-10H,1-2H3
InChIKeyUSDRTDCERKVPMP-UHFFFAOYSA-N
XLogP4.02
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one
CID 107360355
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol
CID 82278890
(1R)-1-(4-methoxy-1-methylindol-3-yl)propan-1-ol
CID 107360558
3-(4-methoxy-1-methylindol-3-yl)propan-1-amine
CID 82278662
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
1-(4-hydroxy-1-methylindol-3-yl)ethanone
CID 82655872

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone?
The IUPAC name of (4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone (CID 107360312) is (4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone.
What is the SMILES notation for (4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone?
The canonical SMILES for (4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone is COc1cccc2c1c(C(=O)c1ccc(I)cc1)cn2C.
What is the InChIKey of (4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone?
The InChIKey is USDRTDCERKVPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14INO2/c1-19-10-13(16-14(19)4-3-5-15(16)21-2)17(20)11-6-8-12(18)9-7-11/h3-10H,1-2H3.
What are the key properties of (4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone?
(4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone has a molecular weight of 391.21 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone is sourced from PubChem (CID 107360312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).