(2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol

C20H23NO5 — CID 97435467

IUPAC(2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](COc1ccccc1-c1ccc2c(c1)OCO2)CN1CCOCC1
InChIInChI=1S/C20H23NO5/c22-16(12-21-7-9-23-10-8-21)13-24-18-4-2-1-3-17(18)15-5-6-19-20(11-15)26-14-25-19/h1-6,11,16,22H,7-10,12-14H2/t16-/m0/s1
InChIKeyUDTZGLBBXMLAMU-INIZCTEOSA-N
MW357.41 g/mol
LogP2.15
Rot. Bonds6

About (2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol

(2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 97435467) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID97435467
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](COc1ccccc1-c1ccc2c(c1)OCO2)CN1CCOCC1
InChIInChI=1S/C20H23NO5/c22-16(12-21-7-9-23-10-8-21)13-24-18-4-2-1-3-17(18)15-5-6-19-20(11-15)26-14-25-19/h1-6,11,16,22H,7-10,12-14H2/t16-/m0/s1
InChIKeyUDTZGLBBXMLAMU-INIZCTEOSA-N
XLogP2.15
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 97435467) is (2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol is O[C@H](COc1ccccc1-c1ccc2c(c1)OCO2)CN1CCOCC1.
What is the InChIKey of (2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is UDTZGLBBXMLAMU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23NO5/c22-16(12-21-7-9-23-10-8-21)13-24-18-4-2-1-3-17(18)15-5-6-19-20(11-15)26-14-25-19/h1-6,11,16,22H,7-10,12-14H2/t16-/m0/s1.
What are the key properties of (2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
(2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 357.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(1,3-benzodioxol-5-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 97435467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).