7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole

C16H23NO — CID 115074930

IUPAC7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
SMILESCC1CCC(C)(Oc2cccc3c2NCC3)CC1
InChIInChI=1S/C16H23NO/c1-12-6-9-16(2,10-7-12)18-14-5-3-4-13-8-11-17-15(13)14/h3-5,12,17H,6-11H2,1-2H3
InChIKeyHNZQCZGJDKQDTF-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.00
Rot. Bonds2

About 7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole

7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole (PubChem CID 115074930) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
PubChem CID115074930
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
SMILESCC1CCC(C)(Oc2cccc3c2NCC3)CC1
InChIInChI=1S/C16H23NO/c1-12-6-9-16(2,10-7-12)18-14-5-3-4-13-8-11-17-15(13)14/h3-5,12,17H,6-11H2,1-2H3
InChIKeyHNZQCZGJDKQDTF-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole?
The IUPAC name of 7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole (CID 115074930) is 7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole?
The canonical SMILES for 7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole is CC1CCC(C)(Oc2cccc3c2NCC3)CC1.
What is the InChIKey of 7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole?
The InChIKey is HNZQCZGJDKQDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-6-9-16(2,10-7-12)18-14-5-3-4-13-8-11-17-15(13)14/h3-5,12,17H,6-11H2,1-2H3.
What are the key properties of 7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole?
7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole has a molecular weight of 245.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).