(4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one

C21H24O2 — CID 27236277

IUPAC(4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one
SMILESCC[C@]12CCC3=C(Cc4cc(OC)c(C)cc43)C1=CCCC2=O
InChIInChI=1S/C21H24O2/c1-4-21-9-8-15-16-10-13(2)19(23-3)12-14(16)11-17(15)18(21)6-5-7-20(21)22/h6,10,12H,4-5,7-9,11H2,1-3H3/t21-/m0/s1
InChIKeyUOABNCDIZSLVJR-NRFANRHFSA-N
MW308.42 g/mol
LogP4.79
Rot. Bonds2

About (4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one

(4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one (PubChem CID 27236277) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is (4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one.

Molecular Properties

Compound Name(4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one
PubChem CID27236277
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name(4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one
SMILESCC[C@]12CCC3=C(Cc4cc(OC)c(C)cc43)C1=CCCC2=O
InChIInChI=1S/C21H24O2/c1-4-21-9-8-15-16-10-13(2)19(23-3)12-14(16)11-17(15)18(21)6-5-7-20(21)22/h6,10,12H,4-5,7-9,11H2,1-3H3/t21-/m0/s1
InChIKeyUOABNCDIZSLVJR-NRFANRHFSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one with MolForge

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Related Compounds

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CID 40572070
6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
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CID 117480325
7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one
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2,3-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
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CID 82129098
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(2S)-2-(4,5-dimethoxy-2-trimethylsilylphenyl)-2-(hydroxymethyl)cyclobutan-1-one
CID 10566779

Frequently Asked Questions

What is the IUPAC name of (4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one?
The IUPAC name of (4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one (CID 27236277) is (4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one.
What is the SMILES notation for (4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one?
The canonical SMILES for (4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one is CC[C@]12CCC3=C(Cc4cc(OC)c(C)cc43)C1=CCCC2=O.
What is the InChIKey of (4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one?
The InChIKey is UOABNCDIZSLVJR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24O2/c1-4-21-9-8-15-16-10-13(2)19(23-3)12-14(16)11-17(15)18(21)6-5-7-20(21)22/h6,10,12H,4-5,7-9,11H2,1-3H3/t21-/m0/s1.
What are the key properties of (4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one?
(4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one has a molecular weight of 308.42 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-4a-ethyl-9-methoxy-8-methyl-3,5,6,11-tetrahydro-2H-benzo[a]fluoren-4-one is sourced from PubChem (CID 27236277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).