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

C15H18O2 — CID 14914996

IUPAC3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one
SMILESCCOc1ccc(C2=CC(=O)C(C)CC2)cc1
InChIInChI=1S/C15H18O2/c1-3-17-14-8-6-12(7-9-14)13-5-4-11(2)15(16)10-13/h6-11H,3-5H2,1-2H3
InChIKeyMFBHNYVHFNEKEX-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.47
Rot. Bonds3

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

3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one (PubChem CID 14914996) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one
PubChem CID14914996
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one
SMILESCCOc1ccc(C2=CC(=O)C(C)CC2)cc1
InChIInChI=1S/C15H18O2/c1-3-17-14-8-6-12(7-9-14)13-5-4-11(2)15(16)10-13/h6-11H,3-5H2,1-2H3
InChIKeyMFBHNYVHFNEKEX-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.47
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-methylcyclohex-2-en-1-one?
The IUPAC name of 3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one (CID 14914996) is 3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one is CCOc1ccc(C2=CC(=O)C(C)CC2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one?
The InChIKey is MFBHNYVHFNEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-17-14-8-6-12(7-9-14)13-5-4-11(2)15(16)10-13/h6-11H,3-5H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one?
3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 14914996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).