3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one

C17H22O2 — CID 2841181

IUPAC3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one
SMILESCCCC1CCC(c2ccc(OCC)cc2)=CC1=O
InChIInChI=1S/C17H22O2/c1-3-5-14-6-7-15(12-17(14)18)13-8-10-16(11-9-13)19-4-2/h8-12,14H,3-7H2,1-2H3
InChIKeyROVBUEKBXZGKHZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.25
Rot. Bonds5

About 3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one

3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one (PubChem CID 2841181) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one
PubChem CID2841181
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one
SMILESCCCC1CCC(c2ccc(OCC)cc2)=CC1=O
InChIInChI=1S/C17H22O2/c1-3-5-14-6-7-15(12-17(14)18)13-8-10-16(11-9-13)19-4-2/h8-12,14H,3-7H2,1-2H3
InChIKeyROVBUEKBXZGKHZ-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one?
The IUPAC name of 3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one (CID 2841181) is 3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one is CCCC1CCC(c2ccc(OCC)cc2)=CC1=O.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one?
The InChIKey is ROVBUEKBXZGKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-3-5-14-6-7-15(12-17(14)18)13-8-10-16(11-9-13)19-4-2/h8-12,14H,3-7H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one?
3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one has a molecular weight of 258.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one is sourced from PubChem (CID 2841181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).