6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one

C18H18O5 — CID 10946954

IUPAC6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
SMILESCOc1ccc(-c2c(OC)c(OC)cc3c2C(=O)OCC3)cc1
InChIInChI=1S/C18H18O5/c1-20-13-6-4-11(5-7-13)15-16-12(8-9-23-18(16)19)10-14(21-2)17(15)22-3/h4-7,10H,8-9H2,1-3H3
InChIKeyICULATMPRQWVCA-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.09
Rot. Bonds4

About 6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one

6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one (PubChem CID 10946954) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
PubChem CID10946954
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
SMILESCOc1ccc(-c2c(OC)c(OC)cc3c2C(=O)OCC3)cc1
InChIInChI=1S/C18H18O5/c1-20-13-6-4-11(5-7-13)15-16-12(8-9-23-18(16)19)10-14(21-2)17(15)22-3/h4-7,10H,8-9H2,1-3H3
InChIKeyICULATMPRQWVCA-UHFFFAOYSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118529990
5-methoxy-2,3-dihydrobenzo[g][1]benzofuran
CID 102108713
4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
CID 631155
4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
CID 25058711
[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22592534
5-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-4-yl)furan-2-carbaldehyde
CID 169334391
7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 69455047
6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one
CID 11485407
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 6708795
4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
CID 14057718
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one?
The IUPAC name of 6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one (CID 10946954) is 6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one?
The canonical SMILES for 6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one is COc1ccc(-c2c(OC)c(OC)cc3c2C(=O)OCC3)cc1.
What is the InChIKey of 6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one?
The InChIKey is ICULATMPRQWVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-20-13-6-4-11(5-7-13)15-16-12(8-9-23-18(16)19)10-14(21-2)17(15)22-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one?
6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one has a molecular weight of 314.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-8-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 10946954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).