5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole

C22H27NO — CID 143575583

IUPAC5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(-c3ccc(OCC4CCCCC4)cc3)ccc21
InChIInChI=1S/C22H27NO/c1-23-14-13-20-15-19(9-12-22(20)23)18-7-10-21(11-8-18)24-16-17-5-3-2-4-6-17/h7-12,15,17H,2-6,13-14,16H2,1H3
InChIKeyQPTZTRLOPWDQTG-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.30
Rot. Bonds4

About 5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole

5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole (PubChem CID 143575583) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole
PubChem CID143575583
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(-c3ccc(OCC4CCCCC4)cc3)ccc21
InChIInChI=1S/C22H27NO/c1-23-14-13-20-15-19(9-12-22(20)23)18-7-10-21(11-8-18)24-16-17-5-3-2-4-6-17/h7-12,15,17H,2-6,13-14,16H2,1H3
InChIKeyQPTZTRLOPWDQTG-UHFFFAOYSA-N
XLogP5.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole?
The IUPAC name of 5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole (CID 143575583) is 5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole?
The canonical SMILES for 5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole is CN1CCc2cc(-c3ccc(OCC4CCCCC4)cc3)ccc21.
What is the InChIKey of 5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole?
The InChIKey is QPTZTRLOPWDQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-23-14-13-20-15-19(9-12-22(20)23)18-7-10-21(11-8-18)24-16-17-5-3-2-4-6-17/h7-12,15,17H,2-6,13-14,16H2,1H3.
What are the key properties of 5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole?
5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole has a molecular weight of 321.46 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclohexylmethoxy)phenyl]-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 143575583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).