3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol

C23H35NO3 — CID 11749130

IUPAC3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol
SMILESCOC1(c2cccc(O)c2)C2CCC1CN(CCCC1(O)CCCCC1)C2
InChIInChI=1S/C23H35NO3/c1-27-23(18-7-5-8-21(25)15-18)19-9-10-20(23)17-24(16-19)14-6-13-22(26)11-3-2-4-12-22/h5,7-8,15,19-20,25-26H,2-4,6,9-14,16-17H2,1H3
InChIKeyISINKTTZISDVRB-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.05
Rot. Bonds6

About 3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol

3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol (PubChem CID 11749130) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol.

Molecular Properties

Compound Name3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol
PubChem CID11749130
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol
SMILESCOC1(c2cccc(O)c2)C2CCC1CN(CCCC1(O)CCCCC1)C2
InChIInChI=1S/C23H35NO3/c1-27-23(18-7-5-8-21(25)15-18)19-9-10-20(23)17-24(16-19)14-6-13-22(26)11-3-2-4-12-22/h5,7-8,15,19-20,25-26H,2-4,6,9-14,16-17H2,1H3
InChIKeyISINKTTZISDVRB-UHFFFAOYSA-N
XLogP4.05
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol?
The IUPAC name of 3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol (CID 11749130) is 3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol.
What is the SMILES notation for 3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol?
The canonical SMILES for 3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol is COC1(c2cccc(O)c2)C2CCC1CN(CCCC1(O)CCCCC1)C2.
What is the InChIKey of 3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol?
The InChIKey is ISINKTTZISDVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO3/c1-27-23(18-7-5-8-21(25)15-18)19-9-10-20(23)17-24(16-19)14-6-13-22(26)11-3-2-4-12-22/h5,7-8,15,19-20,25-26H,2-4,6,9-14,16-17H2,1H3.
What are the key properties of 3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol?
3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol has a molecular weight of 373.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol is sourced from PubChem (CID 11749130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).