17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol

C18H20O — CID 22950899

IUPAC17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol
SMILESCC1=C2CCC3C(=CCc4cc(O)ccc43)C2CC1
InChIInChI=1S/C18H20O/c1-11-2-5-16-14(11)8-9-17-15-7-4-13(19)10-12(15)3-6-18(16)17/h4,6-7,10,16-17,19H,2-3,5,8-9H2,1H3
InChIKeySUOAFOZFGIRRCR-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.48
Rot. Bonds

About 17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol

17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol (PubChem CID 22950899) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol
PubChem CID22950899
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol
SMILESCC1=C2CCC3C(=CCc4cc(O)ccc43)C2CC1
InChIInChI=1S/C18H20O/c1-11-2-5-16-14(11)8-9-17-15-7-4-13(19)10-12(15)3-6-18(16)17/h4,6-7,10,16-17,19H,2-3,5,8-9H2,1H3
InChIKeySUOAFOZFGIRRCR-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(9S,13S,14S)-17-ethylidene-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 54336672
(13S,17Z)-17-ethylidene-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 59958329
(9S,13S,14S,16R,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,16,17-triol
CID 11346702
(17Z)-17-butylidene-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 22958151
(9S,13S,14S)-17-but-2-ynyl-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-ol
CID 91371013
13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol
CID 18459206
bis((9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one);bis((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one)
CID 173299598
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
5-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid;methyl 5-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 161190544
6-[(5-hydroxy-2-methylphenyl)methyl]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142144702
6-[(4-hydroxy-2-methylphenyl)methyl]-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142144692
5-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105437541

Frequently Asked Questions

What is the IUPAC name of 17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol?
The IUPAC name of 17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol (CID 22950899) is 17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for 17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol?
The canonical SMILES for 17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol is CC1=C2CCC3C(=CCc4cc(O)ccc43)C2CC1.
What is the InChIKey of 17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol?
The InChIKey is SUOAFOZFGIRRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-11-2-5-16-14(11)8-9-17-15-7-4-13(19)10-12(15)3-6-18(16)17/h4,6-7,10,16-17,19H,2-3,5,8-9H2,1H3.
What are the key properties of 17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol?
17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 252.36 g/mol, XLogP of 4.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 22950899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).