5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene

C18H20O4 — CID 18932645

IUPAC5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene
SMILESCOc1ccc(OC)c2c1COC(COc1ccccc1)C2
InChIInChI=1S/C18H20O4/c1-19-17-8-9-18(20-2)16-12-22-14(10-15(16)17)11-21-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3
InChIKeyUADRLOLKZGLRJL-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.22
Rot. Bonds5

About 5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene

5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene (PubChem CID 18932645) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene
PubChem CID18932645
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene
SMILESCOc1ccc(OC)c2c1COC(COc1ccccc1)C2
InChIInChI=1S/C18H20O4/c1-19-17-8-9-18(20-2)16-12-22-14(10-15(16)17)11-21-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3
InChIKeyUADRLOLKZGLRJL-UHFFFAOYSA-N
XLogP3.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene?
The IUPAC name of 5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene (CID 18932645) is 5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene?
The canonical SMILES for 5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene is COc1ccc(OC)c2c1COC(COc1ccccc1)C2.
What is the InChIKey of 5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene?
The InChIKey is UADRLOLKZGLRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-17-8-9-18(20-2)16-12-22-14(10-15(16)17)11-21-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3.
What are the key properties of 5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene?
5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene has a molecular weight of 300.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 18932645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).