(3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one

C19H20O2 — CID 27236272

IUPAC(3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one
SMILESCC[C@@]12CCC3=C(Cc4cc(OC)ccc43)C1=CCC2=O
InChIInChI=1S/C19H20O2/c1-3-19-9-8-15-14-5-4-13(21-2)10-12(14)11-16(15)17(19)6-7-18(19)20/h4-6,10H,3,7-9,11H2,1-2H3/t19-/m1/s1
InChIKeyNWYLVXWQZOVTBS-LJQANCHMSA-N
MW280.37 g/mol
LogP4.09
Rot. Bonds2

About (3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one

(3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one (PubChem CID 27236272) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one.

Molecular Properties

Compound Name(3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one
PubChem CID27236272
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one
SMILESCC[C@@]12CCC3=C(Cc4cc(OC)ccc43)C1=CCC2=O
InChIInChI=1S/C19H20O2/c1-3-19-9-8-15-14-5-4-13(21-2)10-12(14)11-16(15)17(19)6-7-18(19)20/h4-6,10H,3,7-9,11H2,1-2H3/t19-/m1/s1
InChIKeyNWYLVXWQZOVTBS-LJQANCHMSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(13R)-13-ethyl-3-methoxy-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthren-17-one
CID 40572070
(13S)-3-methoxy-13-methyl-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthren-17-one
CID 1259524
(4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one
CID 27236277
[(3R,3aR)-3a-ethyl-8-methoxy-3,4,5,10-tetrahydro-2H-cyclopenta[a]fluoren-3-yl] acetate
CID 1256888
[(3S,3aR)-8-methoxy-3a-methyl-3,4,5,10-tetrahydro-2H-cyclopenta[a]fluoren-3-yl] acetate
CID 1380998
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
(13S,17S)-13-ethyl-3-methoxy-6,7,11,12,16,17-hexahydrocyclopenta[a]phenanthren-17-ol
CID 15713345
(13R)-17-ethenyl-13-ethyl-3-methoxy-6,7,11,12,16,17-hexahydrocyclopenta[a]phenanthrene
CID 101362702
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
CID 615098
2-[(2E)-2-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienylidene)ethyl]-2-methylcyclopentane-1,3-dione
CID 11747642
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425

Frequently Asked Questions

What is the IUPAC name of (3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one?
The IUPAC name of (3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one (CID 27236272) is (3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one.
What is the SMILES notation for (3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one?
The canonical SMILES for (3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one is CC[C@@]12CCC3=C(Cc4cc(OC)ccc43)C1=CCC2=O.
What is the InChIKey of (3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one?
The InChIKey is NWYLVXWQZOVTBS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-19-9-8-15-14-5-4-13(21-2)10-12(14)11-16(15)17(19)6-7-18(19)20/h4-6,10H,3,7-9,11H2,1-2H3/t19-/m1/s1.
What are the key properties of (3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one?
(3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one has a molecular weight of 280.37 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one is sourced from PubChem (CID 27236272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).