6-iodo-1-(4-propan-2-ylphenyl)indole

C17H16IN — CID 70864815

IUPAC6-iodo-1-(4-propan-2-ylphenyl)indole
SMILESCC(C)c1ccc(-n2ccc3ccc(I)cc32)cc1
InChIInChI=1S/C17H16IN/c1-12(2)13-4-7-16(8-5-13)19-10-9-14-3-6-15(18)11-17(14)19/h3-12H,1-2H3
InChIKeyPCTPAHLWVPHTAJ-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.36
Rot. Bonds2

About 6-iodo-1-(4-propan-2-ylphenyl)indole

6-iodo-1-(4-propan-2-ylphenyl)indole (PubChem CID 70864815) has the molecular formula C17H16IN and a molecular weight of 361.23 g/mol. Its IUPAC name is 6-iodo-1-(4-propan-2-ylphenyl)indole.

Molecular Properties

Compound Name6-iodo-1-(4-propan-2-ylphenyl)indole
PubChem CID70864815
Molecular FormulaC17H16IN
Molecular Weight361.23 g/mol
Exact Mass361.03
IUPAC Name6-iodo-1-(4-propan-2-ylphenyl)indole
SMILESCC(C)c1ccc(-n2ccc3ccc(I)cc32)cc1
InChIInChI=1S/C17H16IN/c1-12(2)13-4-7-16(8-5-13)19-10-9-14-3-6-15(18)11-17(14)19/h3-12H,1-2H3
InChIKeyPCTPAHLWVPHTAJ-UHFFFAOYSA-N
XLogP5.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-1-(4-propan-2-ylphenyl)indole?
The IUPAC name of 6-iodo-1-(4-propan-2-ylphenyl)indole (CID 70864815) is 6-iodo-1-(4-propan-2-ylphenyl)indole.
What is the SMILES notation for 6-iodo-1-(4-propan-2-ylphenyl)indole?
The canonical SMILES for 6-iodo-1-(4-propan-2-ylphenyl)indole is CC(C)c1ccc(-n2ccc3ccc(I)cc32)cc1.
What is the InChIKey of 6-iodo-1-(4-propan-2-ylphenyl)indole?
The InChIKey is PCTPAHLWVPHTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN/c1-12(2)13-4-7-16(8-5-13)19-10-9-14-3-6-15(18)11-17(14)19/h3-12H,1-2H3.
What are the key properties of 6-iodo-1-(4-propan-2-ylphenyl)indole?
6-iodo-1-(4-propan-2-ylphenyl)indole has a molecular weight of 361.23 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1-(4-propan-2-ylphenyl)indole is sourced from PubChem (CID 70864815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).