4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione

C20H18O5 — CID 102423316

IUPAC4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione
SMILESCOc1cccc2c1CCC1(OC(=O)c3cc(C)cc(OC)c31)C2=O
InChIInChI=1S/C20H18O5/c1-11-9-14-17(16(10-11)24-3)20(25-19(14)22)8-7-12-13(18(20)21)5-4-6-15(12)23-2/h4-6,9-10H,7-8H2,1-3H3
InChIKeyHYYHOICITVYWQY-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.21
Rot. Bonds2

About 4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione

4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione (PubChem CID 102423316) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione.

Molecular Properties

Compound Name4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione
PubChem CID102423316
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione
SMILESCOc1cccc2c1CCC1(OC(=O)c3cc(C)cc(OC)c31)C2=O
InChIInChI=1S/C20H18O5/c1-11-9-14-17(16(10-11)24-3)20(25-19(14)22)8-7-12-13(18(20)21)5-4-6-15(12)23-2/h4-6,9-10H,7-8H2,1-3H3
InChIKeyHYYHOICITVYWQY-UHFFFAOYSA-N
XLogP3.21
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2,2-dipentyl-3,4-dihydronaphthalen-1-one
CID 10543468
8-methoxy-3,3-dimethyl-4-methylidene-1,2-dihydronaphthalene
CID 12784473
5-methoxy-2'-methylidenespiro[4H-isochromene-3,1'-cyclohexane]-1-one
CID 102417201
5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 11355962
7-methoxy-2,2-dimethyl-1-benzofuran-3-one
CID 14126647
4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one
CID 143197620
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927
2-[3-(2,6-dimethoxy-4-methylphenyl)-2,3,5,6-tetramethyl-4-oxocyclohexa-1,5-dien-1-yl]benzoic acid
CID 101135729
(2S)-2-ethynyl-5-methoxy-2-pent-4-enoyl-3,4-dihydronaphthalen-1-one
CID 138972034
2-bromo-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 18941101
11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione
CID 14729074
ethyl 2-hydroxy-7-methoxy-3-oxo-1H-indene-2-carboxylate
CID 158400302

Frequently Asked Questions

What is the IUPAC name of 4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione?
The IUPAC name of 4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione (CID 102423316) is 4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione.
What is the SMILES notation for 4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione?
The canonical SMILES for 4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione is COc1cccc2c1CCC1(OC(=O)c3cc(C)cc(OC)c31)C2=O.
What is the InChIKey of 4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione?
The InChIKey is HYYHOICITVYWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-11-9-14-17(16(10-11)24-3)20(25-19(14)22)8-7-12-13(18(20)21)5-4-6-15(12)23-2/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione?
4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione has a molecular weight of 338.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5'-dimethoxy-6-methylspiro[2-benzofuran-3,2'-3,4-dihydronaphthalene]-1,1'-dione is sourced from PubChem (CID 102423316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).