2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one

C16H22O2 — CID 141155106

IUPAC2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one
SMILESO=C1CCCCC1CCOCCc1ccccc1
InChIInChI=1S/C16H22O2/c17-16-9-5-4-8-15(16)11-13-18-12-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyBEVZPBNPUQDMDV-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.40
Rot. Bonds6

About 2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one

2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one (PubChem CID 141155106) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one
PubChem CID141155106
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one
SMILESO=C1CCCCC1CCOCCc1ccccc1
InChIInChI=1S/C16H22O2/c17-16-9-5-4-8-15(16)11-13-18-12-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyBEVZPBNPUQDMDV-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one?
The IUPAC name of 2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one (CID 141155106) is 2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one?
The canonical SMILES for 2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one is O=C1CCCCC1CCOCCc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one?
The InChIKey is BEVZPBNPUQDMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-16-9-5-4-8-15(16)11-13-18-12-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2.
What are the key properties of 2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one?
2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one is sourced from PubChem (CID 141155106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).