6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol

C18H19FO — CID 142530371

IUPAC6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol
SMILESCC12CCCC1c1cc(F)c3ccc(O)cc3c1CC2
InChIInChI=1S/C18H19FO/c1-18-7-2-3-16(18)15-10-17(19)13-5-4-11(20)9-14(13)12(15)6-8-18/h4-5,9-10,16,20H,2-3,6-8H2,1H3
InChIKeyVJXZUXUSIJJJMO-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.90
Rot. Bonds

About 6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol

6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol (PubChem CID 142530371) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol.

Molecular Properties

Compound Name6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol
PubChem CID142530371
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol
SMILESCC12CCCC1c1cc(F)c3ccc(O)cc3c1CC2
InChIInChI=1S/C18H19FO/c1-18-7-2-3-16(18)15-10-17(19)13-5-4-11(20)9-14(13)12(15)6-8-18/h4-5,9-10,16,20H,2-3,6-8H2,1H3
InChIKeyVJXZUXUSIJJJMO-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol?
The IUPAC name of 6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol (CID 142530371) is 6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol.
What is the SMILES notation for 6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol?
The canonical SMILES for 6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol is CC12CCCC1c1cc(F)c3ccc(O)cc3c1CC2.
What is the InChIKey of 6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol?
The InChIKey is VJXZUXUSIJJJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-18-7-2-3-16(18)15-10-17(19)13-5-4-11(20)9-14(13)12(15)6-8-18/h4-5,9-10,16,20H,2-3,6-8H2,1H3.
What are the key properties of 6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol?
6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol has a molecular weight of 270.35 g/mol, XLogP of 4.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-2-ol is sourced from PubChem (CID 142530371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).