13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one

C19H20O2 — CID 624464

IUPAC13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
SMILESCCC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O
InChIInChI=1S/C19H20O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h3-6,11,17,20H,2,7-10H2,1H3
InChIKeyYZJAQTXHBYIUOK-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.33
Rot. Bonds1

About 13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one

13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one (PubChem CID 624464) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one.

Molecular Properties

Compound Name13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
PubChem CID624464
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
SMILESCCC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O
InChIInChI=1S/C19H20O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h3-6,11,17,20H,2,7-10H2,1H3
InChIKeyYZJAQTXHBYIUOK-UHFFFAOYSA-N
XLogP4.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one?
The IUPAC name of 13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one (CID 624464) is 13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one.
What is the SMILES notation for 13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one?
The canonical SMILES for 13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one is CCC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O.
What is the InChIKey of 13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one?
The InChIKey is YZJAQTXHBYIUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h3-6,11,17,20H,2,7-10H2,1H3.
What are the key properties of 13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one?
13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one has a molecular weight of 280.37 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-3-hydroxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 624464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).