3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one

C22H26O5 — CID 19388236

IUPAC3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCOc1cc(OC)cc(C2CC(=O)c3c(OC)cc(OC)cc3C2(C)C)c1
InChIInChI=1S/C22H26O5/c1-22(2)17(13-7-14(24-3)9-15(8-13)25-4)12-19(23)21-18(22)10-16(26-5)11-20(21)27-6/h7-11,17H,12H2,1-6H3
InChIKeyZDOIJXLXGCOWGA-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.37
Rot. Bonds5

About 3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one

3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one (PubChem CID 19388236) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
PubChem CID19388236
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCOc1cc(OC)cc(C2CC(=O)c3c(OC)cc(OC)cc3C2(C)C)c1
InChIInChI=1S/C22H26O5/c1-22(2)17(13-7-14(24-3)9-15(8-13)25-4)12-19(23)21-18(22)10-16(26-5)11-20(21)27-6/h7-11,17H,12H2,1-6H3
InChIKeyZDOIJXLXGCOWGA-UHFFFAOYSA-N
XLogP4.37
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one 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

3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 19752670
3-(3,4-dimethoxyphenyl)-8-hydroxy-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 19752647
3-(3-chloro-5-methoxyphenyl)-2,2-dimethylcyclobutan-1-one
CID 15536048
4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159611
4-hydroxy-6,8-dimethoxy-4-methyl-3-methylideneisochromen-1-one
CID 163078901
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 11078443
3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one
CID 14484539
(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10336604
6-(3,4-dimethoxyphenyl)-1-methoxy-5,5-dimethyl-7,8-dihydro-6H-benzo[7]annulen-9-one
CID 19388248
3,7,9-trimethoxy-3-methyl-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione
CID 50936715
7-fluoro-2,4-dimethoxy-9,9-dimethylfluorene
CID 147991606
10-chloro-7-(2,4-dimethoxy-6-methylphenyl)-2,4,5a-trihydroxy-9-methoxy-12,12-dimethyl-11,11a-dihydrotetracene-5,6-dione
CID 163112488

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one (CID 19388236) is 3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one is COc1cc(OC)cc(C2CC(=O)c3c(OC)cc(OC)cc3C2(C)C)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The InChIKey is ZDOIJXLXGCOWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-22(2)17(13-7-14(24-3)9-15(8-13)25-4)12-19(23)21-18(22)10-16(26-5)11-20(21)27-6/h7-11,17H,12H2,1-6H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one has a molecular weight of 370.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 19388236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).