1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole

C23H25NO — CID 83290698

IUPAC1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole
SMILESCOc1ccc(-c2cn(C3=CCCCC3)c3cc(C)cc(C)c23)cc1
InChIInChI=1S/C23H25NO/c1-16-13-17(2)23-21(18-9-11-20(25-3)12-10-18)15-24(22(23)14-16)19-7-5-4-6-8-19/h7,9-15H,4-6,8H2,1-3H3
InChIKeyJAZRKOQRWXCTFD-UHFFFAOYSA-N
MW331.46 g/mol
LogP6.35
Rot. Bonds3

About 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole

1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole (PubChem CID 83290698) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole
PubChem CID83290698
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole
SMILESCOc1ccc(-c2cn(C3=CCCCC3)c3cc(C)cc(C)c23)cc1
InChIInChI=1S/C23H25NO/c1-16-13-17(2)23-21(18-9-11-20(25-3)12-10-18)15-24(22(23)14-16)19-7-5-4-6-8-19/h7,9-15H,4-6,8H2,1-3H3
InChIKeyJAZRKOQRWXCTFD-UHFFFAOYSA-N
XLogP6.35
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole (CID 83290698) is 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole is COc1ccc(-c2cn(C3=CCCCC3)c3cc(C)cc(C)c23)cc1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole?
The InChIKey is JAZRKOQRWXCTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-16-13-17(2)23-21(18-9-11-20(25-3)12-10-18)15-24(22(23)14-16)19-7-5-4-6-8-19/h7,9-15H,4-6,8H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole?
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole has a molecular weight of 331.46 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)-4,6-dimethylindole is sourced from PubChem (CID 83290698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).