(8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene

C18H22O — CID 142141815

IUPAC(8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene
SMILESCOc1ccc2c(c1)CC[C@H]1C2=CCC2CCCC21
InChIInChI=1S/C18H22O/c1-19-14-7-10-16-13(11-14)6-9-17-15-4-2-3-12(15)5-8-18(16)17/h7-8,10-12,15,17H,2-6,9H2,1H3/t12?,15?,17-/m1/s1
InChIKeyNXPWCEDJISQZKF-MWHAMWOXSA-N
MW254.37 g/mol
LogP4.46
Rot. Bonds1

About (8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene

(8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene (PubChem CID 142141815) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is (8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene
PubChem CID142141815
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name(8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene
SMILESCOc1ccc2c(c1)CC[C@H]1C2=CCC2CCCC21
InChIInChI=1S/C18H22O/c1-19-14-7-10-16-13(11-14)6-9-17-15-4-2-3-12(15)5-8-18(16)17/h7-8,10-12,15,17H,2-6,9H2,1H3/t12?,15?,17-/m1/s1
InChIKeyNXPWCEDJISQZKF-MWHAMWOXSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene with MolForge

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Related Compounds

(4aR,4bS,12aS)-2,3-difluoro-8-methoxy-4a,4b,5,6,12,12a-hexahydrochrysene-1,4-dione
CID 134879809
(8'S,13'S,14'S)-3'-methoxyspiro[1,3-dioxolane-2,17'-6,7,8,12,13,14,15,16-octahydrocyclopenta[a]phenanthrene]
CID 22797978
(3aS,3bR)-7-methoxy-3,3a,3b,4,5,11-hexahydro-2H-naphtho[1,2-g]indolizin-1-one
CID 849515
(3aS,3bR,11aR)-7-methoxy-2-phenyl-3a,3b,4,5,11,11a-hexahydronaphtho[2,1-e]isoindole-1,3-dione
CID 134961306
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
CID 13275751
6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84627517
1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline
CID 18172454
6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 12067529
ethyl (1S,2S,10aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methoxy-1,2,3,9,10,10a-hexahydrophenanthrene-1-carboxylate
CID 155932238
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
methyl (13S,14S)-3-methoxy-17-oxo-7,8,12,13-tetrahydro-6H-cyclopenta[a]phenanthrene-14-carboxylate
CID 134977395
2-(furan-2-yl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14084383

Frequently Asked Questions

What is the IUPAC name of (8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene?
The IUPAC name of (8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene (CID 142141815) is (8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene.
What is the SMILES notation for (8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene?
The canonical SMILES for (8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene is COc1ccc2c(c1)CC[C@H]1C2=CCC2CCCC21.
What is the InChIKey of (8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene?
The InChIKey is NXPWCEDJISQZKF-MWHAMWOXSA-N. The full InChI is InChI=1S/C18H22O/c1-19-14-7-10-16-13(11-14)6-9-17-15-4-2-3-12(15)5-8-18(16)17/h7-8,10-12,15,17H,2-6,9H2,1H3/t12?,15?,17-/m1/s1.
What are the key properties of (8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene?
(8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene has a molecular weight of 254.37 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-3-methoxy-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 142141815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).