4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine

C16H23NO4 — CID 3053541

IUPAC4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine
SMILESCOc1ccc2c(c1OC)CCOC2CN1CCOCC1
InChIInChI=1S/C16H23NO4/c1-18-14-4-3-12-13(16(14)19-2)5-8-21-15(12)11-17-6-9-20-10-7-17/h3-4,15H,5-11H2,1-2H3
InChIKeyPSDVQOXQHANDRL-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.65
Rot. Bonds4

About 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine

4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine (PubChem CID 3053541) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine
PubChem CID3053541
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine
SMILESCOc1ccc2c(c1OC)CCOC2CN1CCOCC1
InChIInChI=1S/C16H23NO4/c1-18-14-4-3-12-13(16(14)19-2)5-8-21-15(12)11-17-6-9-20-10-7-17/h3-4,15H,5-11H2,1-2H3
InChIKeyPSDVQOXQHANDRL-UHFFFAOYSA-N
XLogP1.65
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine?
The IUPAC name of 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine (CID 3053541) is 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine is COc1ccc2c(c1OC)CCOC2CN1CCOCC1.
What is the InChIKey of 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine?
The InChIKey is PSDVQOXQHANDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-18-14-4-3-12-13(16(14)19-2)5-8-21-15(12)11-17-6-9-20-10-7-17/h3-4,15H,5-11H2,1-2H3.
What are the key properties of 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine?
4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine has a molecular weight of 293.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine is sourced from PubChem (CID 3053541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).