2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one

C15H20O3 — CID 107709266

IUPAC2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCOc1ccc(CCO)cc1
InChIInChI=1S/C15H20O3/c16-10-8-12-4-6-14(7-5-12)18-11-9-13-2-1-3-15(13)17/h4-7,13,16H,1-3,8-11H2
InChIKeyFANMREHHLMYZMA-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.36
Rot. Bonds6

About 2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one

2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one (PubChem CID 107709266) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one
PubChem CID107709266
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCOc1ccc(CCO)cc1
InChIInChI=1S/C15H20O3/c16-10-8-12-4-6-14(7-5-12)18-11-9-13-2-1-3-15(13)17/h4-7,13,16H,1-3,8-11H2
InChIKeyFANMREHHLMYZMA-UHFFFAOYSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one (CID 107709266) is 2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one is O=C1CCCC1CCOc1ccc(CCO)cc1.
What is the InChIKey of 2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one?
The InChIKey is FANMREHHLMYZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-10-8-12-4-6-14(7-5-12)18-11-9-13-2-1-3-15(13)17/h4-7,13,16H,1-3,8-11H2.
What are the key properties of 2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one?
2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one has a molecular weight of 248.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one is sourced from PubChem (CID 107709266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).