2-(4-ethoxyphenyl)cyclohexan-1-one

C14H18O2 — CID 62801107

IUPAC2-(4-ethoxyphenyl)cyclohexan-1-one
SMILESCCOc1ccc(C2CCCCC2=O)cc1
InChIInChI=1S/C14H18O2/c1-2-16-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15/h7-10,13H,2-6H2,1H3
InChIKeyIYGYZZLBEFKQQT-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.31
Rot. Bonds3

About 2-(4-ethoxyphenyl)cyclohexan-1-one

2-(4-ethoxyphenyl)cyclohexan-1-one (PubChem CID 62801107) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)cyclohexan-1-one
PubChem CID62801107
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(4-ethoxyphenyl)cyclohexan-1-one
SMILESCCOc1ccc(C2CCCCC2=O)cc1
InChIInChI=1S/C14H18O2/c1-2-16-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15/h7-10,13H,2-6H2,1H3
InChIKeyIYGYZZLBEFKQQT-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)cyclohexan-1-one?
The IUPAC name of 2-(4-ethoxyphenyl)cyclohexan-1-one (CID 62801107) is 2-(4-ethoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)cyclohexan-1-one?
The canonical SMILES for 2-(4-ethoxyphenyl)cyclohexan-1-one is CCOc1ccc(C2CCCCC2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)cyclohexan-1-one?
The InChIKey is IYGYZZLBEFKQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-16-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15/h7-10,13H,2-6H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)cyclohexan-1-one?
2-(4-ethoxyphenyl)cyclohexan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 62801107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).