(1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol

C13H21NO2 — CID 70882573

IUPAC(1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol
SMILESO[C@H](CCN1CCOCC1)C1C=CC=CC1
InChIInChI=1S/C13H21NO2/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-4,12-13,15H,5-11H2/t12?,13-/m1/s1
InChIKeyAKPBQHGNVWGCRL-ZGTCLIOFSA-N
MW223.32 g/mol
LogP1.20
Rot. Bonds4

About (1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol

(1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol (PubChem CID 70882573) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol
PubChem CID70882573
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol
SMILESO[C@H](CCN1CCOCC1)C1C=CC=CC1
InChIInChI=1S/C13H21NO2/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-4,12-13,15H,5-11H2/t12?,13-/m1/s1
InChIKeyAKPBQHGNVWGCRL-ZGTCLIOFSA-N
XLogP1.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol?
The IUPAC name of (1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol (CID 70882573) is (1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for (1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol?
The canonical SMILES for (1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol is O[C@H](CCN1CCOCC1)C1C=CC=CC1.
What is the InChIKey of (1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol?
The InChIKey is AKPBQHGNVWGCRL-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H21NO2/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-4,12-13,15H,5-11H2/t12?,13-/m1/s1.
What are the key properties of (1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol?
(1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexa-2,4-dien-1-yl-3-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 70882573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).