17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol

C18H25FO — CID 22950893

IUPAC17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol
SMILESCC12CCC3C4=C(CCC3C1CC=C2F)CC(O)CC4
InChIInChI=1S/C18H25FO/c1-18-9-8-14-13-5-3-12(20)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h7,12,14-16,20H,2-6,8-10H2,1H3
InChIKeyDNYZRWXXTXTBDH-UHFFFAOYSA-N
MW276.39 g/mol
LogP4.53
Rot. Bonds

About 17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol

17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol (PubChem CID 22950893) has the molecular formula C18H25FO and a molecular weight of 276.39 g/mol. Its IUPAC name is 17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol
PubChem CID22950893
Molecular FormulaC18H25FO
Molecular Weight276.39 g/mol
Exact Mass276.19
IUPAC Name17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol
SMILESCC12CCC3C4=C(CCC3C1CC=C2F)CC(O)CC4
InChIInChI=1S/C18H25FO/c1-18-9-8-14-13-5-3-12(20)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h7,12,14-16,20H,2-6,8-10H2,1H3
InChIKeyDNYZRWXXTXTBDH-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 54.53
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

(3S,13R,17S)-17-butyl-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 54214434
(13S)-3,3-dimethoxy-13-methyl-2,4,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 89007216
[(8R,9S,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 102058630
17-hydroxy-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 623676
(8R,9S,13S,14S)-17-hydroxy-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 57180602
(3R)-13-methyl-3-(trioxidanylsulfanyloxy)-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 59111653
17-but-1-ynyl-3-methoxy-13-methyl-1,4,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene
CID 22958113
(13S)-13,17-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
CID 54077296
(17Z)-17-ethylidene-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 20660655
(3R,9S,13S,14S)-3-hydroxy-13-methyl-2,3,4,6,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
CID 23387676
(8'R,9'S,13'S,14'S,17'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
CID 15160283
(8R,9S,13S,14S)-3-hydroxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-3H-cyclopenta[a]phenanthren-17-one
CID 54201892

Frequently Asked Questions

What is the IUPAC name of 17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol?
The IUPAC name of 17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol (CID 22950893) is 17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for 17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol?
The canonical SMILES for 17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol is CC12CCC3C4=C(CCC3C1CC=C2F)CC(O)CC4.
What is the InChIKey of 17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol?
The InChIKey is DNYZRWXXTXTBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO/c1-18-9-8-14-13-5-3-12(20)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h7,12,14-16,20H,2-6,8-10H2,1H3.
What are the key properties of 17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol?
17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol has a molecular weight of 276.39 g/mol, XLogP of 4.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-fluoro-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 22950893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).