8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione

C20H22O4 — CID 162657927

IUPAC8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione
SMILESC=CC1=C(C)C(=O)C=C2C3(OC)C=CC(=O)C(C)=C3CCC21OC
InChIInChI=1S/C20H22O4/c1-6-14-12(2)17(22)11-18-19(14,23-4)9-7-15-13(3)16(21)8-10-20(15,18)24-5/h6,8,10-11H,1,7,9H2,2-5H3
InChIKeyJKJYBXNXSYBRIL-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.02
Rot. Bonds3

About 8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione

8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione (PubChem CID 162657927) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione.

Molecular Properties

Compound Name8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione
PubChem CID162657927
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione
SMILESC=CC1=C(C)C(=O)C=C2C3(OC)C=CC(=O)C(C)=C3CCC21OC
InChIInChI=1S/C20H22O4/c1-6-14-12(2)17(22)11-18-19(14,23-4)9-7-15-13(3)16(21)8-10-20(15,18)24-5/h6,8,10-11H,1,7,9H2,2-5H3
InChIKeyJKJYBXNXSYBRIL-UHFFFAOYSA-N
XLogP3.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-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

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione?
The IUPAC name of 8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione (CID 162657927) is 8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione.
What is the SMILES notation for 8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione?
The canonical SMILES for 8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione is C=CC1=C(C)C(=O)C=C2C3(OC)C=CC(=O)C(C)=C3CCC21OC.
What is the InChIKey of 8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione?
The InChIKey is JKJYBXNXSYBRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-6-14-12(2)17(22)11-18-19(14,23-4)9-7-15-13(3)16(21)8-10-20(15,18)24-5/h6,8,10-11H,1,7,9H2,2-5H3.
What are the key properties of 8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione?
8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione has a molecular weight of 326.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-4a,8a-dimethoxy-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-dione is sourced from PubChem (CID 162657927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).