3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene

C19H24O — CID 14583318

IUPAC3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
SMILESCOc1ccc2c(c1)CCC1C3CCC(C)=C3CCC21
InChIInChI=1S/C19H24O/c1-12-3-6-17-15(12)9-10-18-16-8-5-14(20-2)11-13(16)4-7-19(17)18/h5,8,11,17-19H,3-4,6-7,9-10H2,1-2H3
InChIKeyNLFLFHYUEUXUSX-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.86
Rot. Bonds1

About 3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene

3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene (PubChem CID 14583318) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
PubChem CID14583318
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
SMILESCOc1ccc2c(c1)CCC1C3CCC(C)=C3CCC21
InChIInChI=1S/C19H24O/c1-12-3-6-17-15(12)9-10-18-16-8-5-14(20-2)11-13(16)4-7-19(17)18/h5,8,11,17-19H,3-4,6-7,9-10H2,1-2H3
InChIKeyNLFLFHYUEUXUSX-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene 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

(8S,9S,14S)-2-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 24788683
(3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-1H-naphtho[2,1-e][2]benzofuran
CID 125481159
(13S)-17-ethylidene-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
CID 91039196
3-methoxy-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
CID 123535129
(8S,9S,13R,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 14055916
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
(4R,4aS,10bR)-8-methoxy-4-propyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isothiochromene
CID 54752033
(8S,9S,13R,14S,17S)-3-methoxy-13,17-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 59630580
(3aS,3bR,9bS,11aR)-1-ethylidene-7-methoxy-11a-methyl-3b,4,5,9b,10,11-hexahydro-3aH-naphtho[1,2-g][1]benzofuran
CID 70617623
(1R,3aS,3bR,9bS,11aS)-1,7-dimethoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-1H-naphtho[2,1-e][2]benzofuran
CID 125481225
(13S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CID 54575269
(8R,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine
CID 15251354

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene?
The IUPAC name of 3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene (CID 14583318) is 3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene.
What is the SMILES notation for 3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene?
The canonical SMILES for 3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene is COc1ccc2c(c1)CCC1C3CCC(C)=C3CCC21.
What is the InChIKey of 3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene?
The InChIKey is NLFLFHYUEUXUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-12-3-6-17-15(12)9-10-18-16-8-5-14(20-2)11-13(16)4-7-19(17)18/h5,8,11,17-19H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene?
3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene has a molecular weight of 268.40 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 14583318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).