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

C16H24ClNO4 — CID 3053540

IUPAC4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride
SMILESCOc1ccc2c(c1OC)CCOC2CN1CCOCC1.Cl
InChIInChI=1S/C16H23NO4.ClH/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;1H
InChIKeyFVEQKDLVHMRYSP-UHFFFAOYSA-N
MW329.82 g/mol
LogP2.07
Rot. Bonds4

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

4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride (PubChem CID 3053540) has the molecular formula C16H24ClNO4 and a molecular weight of 329.82 g/mol. Its IUPAC name is 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride
PubChem CID3053540
Molecular FormulaC16H24ClNO4
Molecular Weight329.82 g/mol
Exact Mass329.14
IUPAC Name4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride
SMILESCOc1ccc2c(c1OC)CCOC2CN1CCOCC1.Cl
InChIInChI=1S/C16H23NO4.ClH/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;1H
InChIKeyFVEQKDLVHMRYSP-UHFFFAOYSA-N
XLogP2.07
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 52.07
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;hydrochloride?
The IUPAC name of 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride (CID 3053540) is 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride is COc1ccc2c(c1OC)CCOC2CN1CCOCC1.Cl.
What is the InChIKey of 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride?
The InChIKey is FVEQKDLVHMRYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4.ClH/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;1H.
What are the key properties of 4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride?
4-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]morpholine;hydrochloride has a molecular weight of 329.82 g/mol, XLogP of 2.07, 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;hydrochloride is sourced from PubChem (CID 3053540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).