(3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione

C15H16O5 — CID 102024333

IUPAC(3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione
SMILESCOc1ccc([C@@]23CCC(=O)C2OC(=O)C3)cc1OC
InChIInChI=1S/C15H16O5/c1-18-11-4-3-9(7-12(11)19-2)15-6-5-10(16)14(15)20-13(17)8-15/h3-4,7,14H,5-6,8H2,1-2H3/t14?,15-/m0/s1
InChIKeyWGYLOUOKTXSPTP-LOACHALJSA-N
MW276.29 g/mol
LogP1.62
Rot. Bonds3

About (3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione

(3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione (PubChem CID 102024333) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is (3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione.

Molecular Properties

Compound Name(3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione
PubChem CID102024333
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name(3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione
SMILESCOc1ccc([C@@]23CCC(=O)C2OC(=O)C3)cc1OC
InChIInChI=1S/C15H16O5/c1-18-11-4-3-9(7-12(11)19-2)15-6-5-10(16)14(15)20-13(17)8-15/h3-4,7,14H,5-6,8H2,1-2H3/t14?,15-/m0/s1
InChIKeyWGYLOUOKTXSPTP-LOACHALJSA-N
XLogP1.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-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

9a-(3,4-dimethoxyphenyl)-4,5-dimethyl-2,4,4a,5,6,7,8,9-octahydro-1H-benzo[7]annulen-3-one
CID 171562780
(7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
CID 135081939
3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one;hydrochloride
CID 22210568
4a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-quinolin-7-one
CID 102464596
3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,7a-tetrahydro-2H-indol-6-ol
CID 134314472
3a-(3,4-dimethoxyphenyl)-1-methyl-5-(2-methylpropyl)-2,3,4,5,7,7a-hexahydroindol-6-one
CID 171567568
3a-(3,4-dimethoxyphenyl)-1,1'-dimethylspiro[2,3,4,5,7,7a-hexahydroindole-6,4'-azetidine]-2'-one
CID 171567422
4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene
CID 58988277
(3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one
CID 72707434
(3aS,7aR)-3a-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
CID 90901794
2-(3,4-dimethoxyphenyl)-2-methylcyclopropan-1-amine
CID 62387494
(1R,2R,6S)-6-(3,4-dimethoxyphenyl)-3-methyl-3-azatricyclo[5.2.1.02,6]decan-9-one
CID 171567587

Frequently Asked Questions

What is the IUPAC name of (3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione?
The IUPAC name of (3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione (CID 102024333) is (3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione.
What is the SMILES notation for (3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione?
The canonical SMILES for (3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione is COc1ccc([C@@]23CCC(=O)C2OC(=O)C3)cc1OC.
What is the InChIKey of (3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione?
The InChIKey is WGYLOUOKTXSPTP-LOACHALJSA-N. The full InChI is InChI=1S/C15H16O5/c1-18-11-4-3-9(7-12(11)19-2)15-6-5-10(16)14(15)20-13(17)8-15/h3-4,7,14H,5-6,8H2,1-2H3/t14?,15-/m0/s1.
What are the key properties of (3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione?
(3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione has a molecular weight of 276.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6a-tetrahydrocyclopenta[b]furan-2,6-dione is sourced from PubChem (CID 102024333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).