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

C16H23NO — CID 115075824

IUPAC4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole
SMILESCC1(C)CCC(Oc2cccc3c2CNC3)CC1
InChIInChI=1S/C16H23NO/c1-16(2)8-6-13(7-9-16)18-15-5-3-4-12-10-17-11-14(12)15/h3-5,13,17H,6-11H2,1-2H3
InChIKeySVUHZRHGZLIISF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.64
Rot. Bonds2

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

4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole (PubChem CID 115075824) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole
PubChem CID115075824
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole
SMILESCC1(C)CCC(Oc2cccc3c2CNC3)CC1
InChIInChI=1S/C16H23NO/c1-16(2)8-6-13(7-9-16)18-15-5-3-4-12-10-17-11-14(12)15/h3-5,13,17H,6-11H2,1-2H3
InChIKeySVUHZRHGZLIISF-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076749
4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
CID 115075917
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075833
8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076691
5-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076188
8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076747
4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-2,3-dihydro-1H-isoindole
CID 176925080
4-[(4-methyloxan-4-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075865
8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076688
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075643
2-(4,4-dimethylcyclohexyl)oxy-6-fluorobenzaldehyde
CID 114065209
4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115075898

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole (CID 115075824) is 4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole is CC1(C)CCC(Oc2cccc3c2CNC3)CC1.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole?
The InChIKey is SVUHZRHGZLIISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)8-6-13(7-9-16)18-15-5-3-4-12-10-17-11-14(12)15/h3-5,13,17H,6-11H2,1-2H3.
What are the key properties of 4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole?
4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole has a molecular weight of 245.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115075824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).