2-(2-phenylmethoxyethyl)cyclohexan-1-one

C15H20O2 — CID 561952

IUPAC2-(2-phenylmethoxyethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CCOCc1ccccc1
InChIInChI=1S/C15H20O2/c16-15-9-5-4-8-14(15)10-11-17-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2
InChIKeyAVYVLJQIDISUDB-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.35
Rot. Bonds5

About 2-(2-phenylmethoxyethyl)cyclohexan-1-one

2-(2-phenylmethoxyethyl)cyclohexan-1-one (PubChem CID 561952) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-phenylmethoxyethyl)cyclohexan-1-one
PubChem CID561952
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(2-phenylmethoxyethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CCOCc1ccccc1
InChIInChI=1S/C15H20O2/c16-15-9-5-4-8-14(15)10-11-17-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2
InChIKeyAVYVLJQIDISUDB-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.35
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-phenylmethoxyethyl)cyclohexan-1-one?
The IUPAC name of 2-(2-phenylmethoxyethyl)cyclohexan-1-one (CID 561952) is 2-(2-phenylmethoxyethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-phenylmethoxyethyl)cyclohexan-1-one?
The canonical SMILES for 2-(2-phenylmethoxyethyl)cyclohexan-1-one is O=C1CCCCC1CCOCc1ccccc1.
What is the InChIKey of 2-(2-phenylmethoxyethyl)cyclohexan-1-one?
The InChIKey is AVYVLJQIDISUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-15-9-5-4-8-14(15)10-11-17-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2.
What are the key properties of 2-(2-phenylmethoxyethyl)cyclohexan-1-one?
2-(2-phenylmethoxyethyl)cyclohexan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethyl)cyclohexan-1-one is sourced from PubChem (CID 561952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).