1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol

C18H26N2O2 — CID 167588566

IUPAC1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(C)c(C)n(CC(O)CN3CCOCC3)c2c1
InChIInChI=1S/C18H26N2O2/c1-13-4-5-17-14(2)15(3)20(18(17)10-13)12-16(21)11-19-6-8-22-9-7-19/h4-5,10,16,21H,6-9,11-12H2,1-3H3
InChIKeyDTHOPULJLNGMBF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.26
Rot. Bonds4

About 1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol

1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol (PubChem CID 167588566) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol
PubChem CID167588566
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(C)c(C)n(CC(O)CN3CCOCC3)c2c1
InChIInChI=1S/C18H26N2O2/c1-13-4-5-17-14(2)15(3)20(18(17)10-13)12-16(21)11-19-6-8-22-9-7-19/h4-5,10,16,21H,6-9,11-12H2,1-3H3
InChIKeyDTHOPULJLNGMBF-UHFFFAOYSA-N
XLogP2.26
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol (CID 167588566) is 1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol is Cc1ccc2c(C)c(C)n(CC(O)CN3CCOCC3)c2c1.
What is the InChIKey of 1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol?
The InChIKey is DTHOPULJLNGMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-4-5-17-14(2)15(3)20(18(17)10-13)12-16(21)11-19-6-8-22-9-7-19/h4-5,10,16,21H,6-9,11-12H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol?
1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol has a molecular weight of 302.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 167588566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).