3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol

C17H23NO4 — CID 627722

IUPAC3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
SMILESCOc1cc2c(cc1O)C1CCCCC1(N1CCOCC1)O2
InChIInChI=1S/C17H23NO4/c1-20-16-11-15-12(10-14(16)19)13-4-2-3-5-17(13,22-15)18-6-8-21-9-7-18/h10-11,13,19H,2-9H2,1H3
InChIKeyGPMZHRHGNHPJIS-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.48
Rot. Bonds2

About 3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol

3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol (PubChem CID 627722) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol.

Molecular Properties

Compound Name3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
PubChem CID627722
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
SMILESCOc1cc2c(cc1O)C1CCCCC1(N1CCOCC1)O2
InChIInChI=1S/C17H23NO4/c1-20-16-11-15-12(10-14(16)19)13-4-2-3-5-17(13,22-15)18-6-8-21-9-7-18/h10-11,13,19H,2-9H2,1H3
InChIKeyGPMZHRHGNHPJIS-UHFFFAOYSA-N
XLogP2.48
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
The IUPAC name of 3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol (CID 627722) is 3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol.
What is the SMILES notation for 3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
The canonical SMILES for 3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol is COc1cc2c(cc1O)C1CCCCC1(N1CCOCC1)O2.
What is the InChIKey of 3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
The InChIKey is GPMZHRHGNHPJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-20-16-11-15-12(10-14(16)19)13-4-2-3-5-17(13,22-15)18-6-8-21-9-7-18/h10-11,13,19H,2-9H2,1H3.
What are the key properties of 3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol has a molecular weight of 305.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol is sourced from PubChem (CID 627722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).