4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one

C16H16O3 — CID 12943493

IUPAC4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one
SMILESCOc1ccc2ccc(OC)c3c2c1C(=O)CC3C
InChIInChI=1S/C16H16O3/c1-9-8-11(17)16-13(19-3)7-5-10-4-6-12(18-2)14(9)15(10)16/h4-7,9H,8H2,1-3H3
InChIKeyKPGZYBFUOCBOOT-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.55
Rot. Bonds2

About 4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one

4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one (PubChem CID 12943493) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one.

Molecular Properties

Compound Name4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one
PubChem CID12943493
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one
SMILESCOc1ccc2ccc(OC)c3c2c1C(=O)CC3C
InChIInChI=1S/C16H16O3/c1-9-8-11(17)16-13(19-3)7-5-10-4-6-12(18-2)14(9)15(10)16/h4-7,9H,8H2,1-3H3
InChIKeyKPGZYBFUOCBOOT-UHFFFAOYSA-N
XLogP3.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-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

(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 2,5-dimethoxybenzenesulfonate
CID 46677348
8-chloro-5-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 104546581
2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
CID 82160023
7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 12571694
7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-4-fluoro-3-methyl-2,3-dihydroinden-1-one
CID 17467094
8-bromo-2,5-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14119827
(2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 5316661
(2S)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 155907329
5,8-dimethoxy-2-methyliminonaphthalene-1,4-dione
CID 123205780
4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 82082522
2-diazo-3,8-dimethoxyacenaphthylen-1-one
CID 11391152
(3S)-5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 18445644

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one?
The IUPAC name of 4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one (CID 12943493) is 4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one.
What is the SMILES notation for 4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one?
The canonical SMILES for 4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one is COc1ccc2ccc(OC)c3c2c1C(=O)CC3C.
What is the InChIKey of 4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one?
The InChIKey is KPGZYBFUOCBOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-9-8-11(17)16-13(19-3)7-5-10-4-6-12(18-2)14(9)15(10)16/h4-7,9H,8H2,1-3H3.
What are the key properties of 4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one?
4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one has a molecular weight of 256.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one is sourced from PubChem (CID 12943493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).