17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol

C20H20O — CID 21200378

IUPAC17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol
SMILESC=CC1=CCC2c3ccc4cc(O)ccc4c3CCC12C
InChIInChI=1S/C20H20O/c1-3-14-5-9-19-18-7-4-13-12-15(21)6-8-16(13)17(18)10-11-20(14,19)2/h3-8,12,19,21H,1,9-11H2,2H3
InChIKeyPLHROWIDMKJGJB-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.10
Rot. Bonds1

About 17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol

17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol (PubChem CID 21200378) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol
PubChem CID21200378
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol
SMILESC=CC1=CCC2c3ccc4cc(O)ccc4c3CCC12C
InChIInChI=1S/C20H20O/c1-3-14-5-9-19-18-7-4-13-12-15(21)6-8-16(13)17(18)10-11-20(14,19)2/h3-8,12,19,21H,1,9-11H2,2H3
InChIKeyPLHROWIDMKJGJB-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol?
The IUPAC name of 17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol (CID 21200378) is 17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for 17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol?
The canonical SMILES for 17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol is C=CC1=CCC2c3ccc4cc(O)ccc4c3CCC12C.
What is the InChIKey of 17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol?
The InChIKey is PLHROWIDMKJGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-3-14-5-9-19-18-7-4-13-12-15(21)6-8-16(13)17(18)10-11-20(14,19)2/h3-8,12,19,21H,1,9-11H2,2H3.
What are the key properties of 17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol?
17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol has a molecular weight of 276.38 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 21200378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).