spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one

C20H14O2 — CID 140617688

IUPACspiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one
SMILESO=C1CCC2(C=Cc3c(ccc4c5c(ccc34)=CC=C5)=C2)O1
InChIInChI=1S/C20H14O2/c21-19-9-11-20(22-19)10-8-16-14(12-20)5-7-17-15-3-1-2-13(15)4-6-18(16)17/h1-8,10,12H,9,11H2
InChIKeyIPSRRKNAABGMKS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.53
Rot. Bonds

About spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one

spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one (PubChem CID 140617688) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one.

Molecular Properties

Compound Namespiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one
PubChem CID140617688
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Namespiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one
SMILESO=C1CCC2(C=Cc3c(ccc4c5c(ccc34)=CC=C5)=C2)O1
InChIInChI=1S/C20H14O2/c21-19-9-11-20(22-19)10-8-16-14(12-20)5-7-17-15-3-1-2-13(15)4-6-18(16)17/h1-8,10,12H,9,11H2
InChIKeyIPSRRKNAABGMKS-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one?
The IUPAC name of spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one (CID 140617688) is spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one.
What is the SMILES notation for spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one?
The canonical SMILES for spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one is O=C1CCC2(C=Cc3c(ccc4c5c(ccc34)=CC=C5)=C2)O1.
What is the InChIKey of spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one?
The InChIKey is IPSRRKNAABGMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c21-19-9-11-20(22-19)10-8-16-14(12-20)5-7-17-15-3-1-2-13(15)4-6-18(16)17/h1-8,10,12H,9,11H2.
What are the key properties of spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one?
spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one has a molecular weight of 286.33 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one is sourced from PubChem (CID 140617688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).