2-phenylspiro[2.5]octan-8-one

C14H16O — CID 14952236

IUPAC2-phenylspiro[2.5]octan-8-one
SMILESO=C1CCCCC12CC2c1ccccc1
InChIInChI=1S/C14H16O/c15-13-8-4-5-9-14(13)10-12(14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKeyPYPXHWRNKMVIEB-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.30
Rot. Bonds1

About 2-phenylspiro[2.5]octan-8-one

2-phenylspiro[2.5]octan-8-one (PubChem CID 14952236) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-phenylspiro[2.5]octan-8-one.

Molecular Properties

Compound Name2-phenylspiro[2.5]octan-8-one
PubChem CID14952236
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-phenylspiro[2.5]octan-8-one
SMILESO=C1CCCCC12CC2c1ccccc1
InChIInChI=1S/C14H16O/c15-13-8-4-5-9-14(13)10-12(14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKeyPYPXHWRNKMVIEB-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylspiro[2.5]octan-8-one?
The IUPAC name of 2-phenylspiro[2.5]octan-8-one (CID 14952236) is 2-phenylspiro[2.5]octan-8-one.
What is the SMILES notation for 2-phenylspiro[2.5]octan-8-one?
The canonical SMILES for 2-phenylspiro[2.5]octan-8-one is O=C1CCCCC12CC2c1ccccc1.
What is the InChIKey of 2-phenylspiro[2.5]octan-8-one?
The InChIKey is PYPXHWRNKMVIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c15-13-8-4-5-9-14(13)10-12(14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2.
What are the key properties of 2-phenylspiro[2.5]octan-8-one?
2-phenylspiro[2.5]octan-8-one has a molecular weight of 200.28 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylspiro[2.5]octan-8-one is sourced from PubChem (CID 14952236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).