6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol

C18H20O5 — CID 86098098

IUPAC6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol
SMILESCOc1cc2c(cc1OC)C(O)(c1ccccc1OC)OCC2
InChIInChI=1S/C18H20O5/c1-20-15-7-5-4-6-13(15)18(19)14-11-17(22-3)16(21-2)10-12(14)8-9-23-18/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyBCSDBFANJLBNMB-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.48
Rot. Bonds4

About 6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol

6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol (PubChem CID 86098098) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol.

Molecular Properties

Compound Name6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol
PubChem CID86098098
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol
SMILESCOc1cc2c(cc1OC)C(O)(c1ccccc1OC)OCC2
InChIInChI=1S/C18H20O5/c1-20-15-7-5-4-6-13(15)18(19)14-11-17(22-3)16(21-2)10-12(14)8-9-23-18/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyBCSDBFANJLBNMB-UHFFFAOYSA-N
XLogP2.48
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol?
The IUPAC name of 6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol (CID 86098098) is 6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol.
What is the SMILES notation for 6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol?
The canonical SMILES for 6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol is COc1cc2c(cc1OC)C(O)(c1ccccc1OC)OCC2.
What is the InChIKey of 6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol?
The InChIKey is BCSDBFANJLBNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-15-7-5-4-6-13(15)18(19)14-11-17(22-3)16(21-2)10-12(14)8-9-23-18/h4-7,10-11,19H,8-9H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol?
6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol has a molecular weight of 316.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol is sourced from PubChem (CID 86098098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).