1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one

C16H20O3 — CID 66367605

IUPAC1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one
SMILESCCOc1ccc(OC2CC(=O)C23CCCC3)cc1
InChIInChI=1S/C16H20O3/c1-2-18-12-5-7-13(8-6-12)19-15-11-14(17)16(15)9-3-4-10-16/h5-8,15H,2-4,9-11H2,1H3
InChIKeySVXNPNIWWOSUJC-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one

1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one (PubChem CID 66367605) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one.

Molecular Properties

Compound Name1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one
PubChem CID66367605
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one
SMILESCCOc1ccc(OC2CC(=O)C23CCCC3)cc1
InChIInChI=1S/C16H20O3/c1-2-18-12-5-7-13(8-6-12)19-15-11-14(17)16(15)9-3-4-10-16/h5-8,15H,2-4,9-11H2,1H3
InChIKeySVXNPNIWWOSUJC-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one?
The IUPAC name of 1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one (CID 66367605) is 1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one.
What is the SMILES notation for 1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one?
The canonical SMILES for 1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one is CCOc1ccc(OC2CC(=O)C23CCCC3)cc1.
What is the InChIKey of 1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one?
The InChIKey is SVXNPNIWWOSUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-2-18-12-5-7-13(8-6-12)19-15-11-14(17)16(15)9-3-4-10-16/h5-8,15H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one?
1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one has a molecular weight of 260.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one is sourced from PubChem (CID 66367605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).