5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one

C15H22O5 — CID 90332671

IUPAC5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one
SMILESO=C(CCC(CO)OCCOCCO)c1ccccc1
InChIInChI=1S/C15H22O5/c16-8-9-19-10-11-20-14(12-17)6-7-15(18)13-4-2-1-3-5-13/h1-5,14,16-17H,6-12H2
InChIKeyWCWHPHIZBHHRAV-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.04
Rot. Bonds11

About 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one

5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one (PubChem CID 90332671) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one.

Molecular Properties

Compound Name5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one
PubChem CID90332671
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one
SMILESO=C(CCC(CO)OCCOCCO)c1ccccc1
InChIInChI=1S/C15H22O5/c16-8-9-19-10-11-20-14(12-17)6-7-15(18)13-4-2-1-3-5-13/h1-5,14,16-17H,6-12H2
InChIKeyWCWHPHIZBHHRAV-UHFFFAOYSA-N
XLogP1.04
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-4-propoxyhexan-1-one
CID 57063907
8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid
CID 87833103
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone
CID 118894768
3-methoxy-1-phenylpropan-1-one
CID 10942788
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
2-(3-oxo-3-phenylpropoxy)ethyl formate
CID 134922403
2-(2-hydroxyethoxy)ethoxycarbonyl benzoate
CID 174850057
4-chloro-1-phenylpentan-1-one
CID 14472970
2-hydroxy-1,5-diphenylpentane-1,5-dione
CID 14316875
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
dimethyl 2-(3-oxo-3-phenylpropyl)propanedioate
CID 13380846

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one?
The IUPAC name of 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one (CID 90332671) is 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one.
What is the SMILES notation for 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one?
The canonical SMILES for 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one is O=C(CCC(CO)OCCOCCO)c1ccccc1.
What is the InChIKey of 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one?
The InChIKey is WCWHPHIZBHHRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c16-8-9-19-10-11-20-14(12-17)6-7-15(18)13-4-2-1-3-5-13/h1-5,14,16-17H,6-12H2.
What are the key properties of 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one?
5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one has a molecular weight of 282.34 g/mol, XLogP of 1.04, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one is sourced from PubChem (CID 90332671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).