3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole

C22H25NO — CID 173233148

IUPAC3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole
SMILESCc1cccc(C)c1Oc1ccc2[nH]cc(C3CCCCC3)c2c1
InChIInChI=1S/C22H25NO/c1-15-7-6-8-16(2)22(15)24-18-11-12-21-19(13-18)20(14-23-21)17-9-4-3-5-10-17/h6-8,11-14,17,23H,3-5,9-10H2,1-2H3
InChIKeyVVZJBMBUQXKNAB-UHFFFAOYSA-N
MW319.45 g/mol
LogP6.62
Rot. Bonds3

About 3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole

3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole (PubChem CID 173233148) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole.

Molecular Properties

Compound Name3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole
PubChem CID173233148
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole
SMILESCc1cccc(C)c1Oc1ccc2[nH]cc(C3CCCCC3)c2c1
InChIInChI=1S/C22H25NO/c1-15-7-6-8-16(2)22(15)24-18-11-12-21-19(13-18)20(14-23-21)17-9-4-3-5-10-17/h6-8,11-14,17,23H,3-5,9-10H2,1-2H3
InChIKeyVVZJBMBUQXKNAB-UHFFFAOYSA-N
XLogP6.62
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole?
The IUPAC name of 3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole (CID 173233148) is 3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole.
What is the SMILES notation for 3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole?
The canonical SMILES for 3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole is Cc1cccc(C)c1Oc1ccc2[nH]cc(C3CCCCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole?
The InChIKey is VVZJBMBUQXKNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-15-7-6-8-16(2)22(15)24-18-11-12-21-19(13-18)20(14-23-21)17-9-4-3-5-10-17/h6-8,11-14,17,23H,3-5,9-10H2,1-2H3.
What are the key properties of 3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole?
3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole has a molecular weight of 319.45 g/mol, XLogP of 6.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole is sourced from PubChem (CID 173233148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).