1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one

C17H22O — CID 123148611

IUPAC1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
SMILESO=C1CC2C=CC3=C4CCCCC4CCC3C2C1
InChIInChI=1S/C17H22O/c18-13-9-12-6-8-15-14-4-2-1-3-11(14)5-7-16(15)17(12)10-13/h6,8,11-12,16-17H,1-5,7,9-10H2
InChIKeyQFBUGQZDNZWALB-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.05
Rot. Bonds

About 1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one

1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one (PubChem CID 123148611) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
PubChem CID123148611
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
SMILESO=C1CC2C=CC3=C4CCCCC4CCC3C2C1
InChIInChI=1S/C17H22O/c18-13-9-12-6-8-15-14-4-2-1-3-11(14)5-7-16(15)17(12)10-13/h6,8,11-12,16-17H,1-5,7,9-10H2
InChIKeyQFBUGQZDNZWALB-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one?
The IUPAC name of 1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one (CID 123148611) is 1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one.
What is the SMILES notation for 1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one?
The canonical SMILES for 1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one is O=C1CC2C=CC3=C4CCCCC4CCC3C2C1.
What is the InChIKey of 1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one?
The InChIKey is QFBUGQZDNZWALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c18-13-9-12-6-8-15-14-4-2-1-3-11(14)5-7-16(15)17(12)10-13/h6,8,11-12,16-17H,1-5,7,9-10H2.
What are the key properties of 1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one?
1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one has a molecular weight of 242.36 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,13,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one is sourced from PubChem (CID 123148611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).