7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one

C13H14O3 — CID 57332794

IUPAC7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one
SMILESO=C1OC(c2ccccc2O)CC12CCC2
InChIInChI=1S/C13H14O3/c14-10-5-2-1-4-9(10)11-8-13(6-3-7-13)12(15)16-11/h1-2,4-5,11,14H,3,6-8H2
InChIKeyATBDPKCPARLEBN-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.55
Rot. Bonds1

About 7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one

7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one (PubChem CID 57332794) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one
PubChem CID57332794
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one
SMILESO=C1OC(c2ccccc2O)CC12CCC2
InChIInChI=1S/C13H14O3/c14-10-5-2-1-4-9(10)11-8-13(6-3-7-13)12(15)16-11/h1-2,4-5,11,14H,3,6-8H2
InChIKeyATBDPKCPARLEBN-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one?
The IUPAC name of 7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one (CID 57332794) is 7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one.
What is the SMILES notation for 7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one?
The canonical SMILES for 7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one is O=C1OC(c2ccccc2O)CC12CCC2.
What is the InChIKey of 7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one?
The InChIKey is ATBDPKCPARLEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-10-5-2-1-4-9(10)11-8-13(6-3-7-13)12(15)16-11/h1-2,4-5,11,14H,3,6-8H2.
What are the key properties of 7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one?
7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one has a molecular weight of 218.25 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyphenyl)-6-oxaspiro[3.4]octan-5-one is sourced from PubChem (CID 57332794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).