phenyl 4-(oxan-2-yloxy)butanoate

C15H20O4 — CID 86032233

IUPACphenyl 4-(oxan-2-yloxy)butanoate
SMILESO=C(CCCOC1CCCCO1)Oc1ccccc1
InChIInChI=1S/C15H20O4/c16-14(19-13-7-2-1-3-8-13)9-6-12-18-15-10-4-5-11-17-15/h1-3,7-8,15H,4-6,9-12H2
InChIKeyUIBNZNJILUYGEF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.92
Rot. Bonds6

About phenyl 4-(oxan-2-yloxy)butanoate

phenyl 4-(oxan-2-yloxy)butanoate (PubChem CID 86032233) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is phenyl 4-(oxan-2-yloxy)butanoate.

Molecular Properties

Compound Namephenyl 4-(oxan-2-yloxy)butanoate
PubChem CID86032233
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namephenyl 4-(oxan-2-yloxy)butanoate
SMILESO=C(CCCOC1CCCCO1)Oc1ccccc1
InChIInChI=1S/C15H20O4/c16-14(19-13-7-2-1-3-8-13)9-6-12-18-15-10-4-5-11-17-15/h1-3,7-8,15H,4-6,9-12H2
InChIKeyUIBNZNJILUYGEF-UHFFFAOYSA-N
XLogP2.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(oxan-2-yloxy)octyl benzoate
CID 11551737
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
2-(2-phenoxyethoxy)oxane
CID 11736193
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid
CID 175881612
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
oxan-2-ylmethyl 4-phenoxybutanoate
CID 78788814
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
4-hydroxybutyl 4-(oxolan-2-yloxy)butanoate
CID 169311793
2-(3-trityloxypropoxy)oxane
CID 101461782
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(oxan-2-yloxy)butanoate?
The IUPAC name of phenyl 4-(oxan-2-yloxy)butanoate (CID 86032233) is phenyl 4-(oxan-2-yloxy)butanoate.
What is the SMILES notation for phenyl 4-(oxan-2-yloxy)butanoate?
The canonical SMILES for phenyl 4-(oxan-2-yloxy)butanoate is O=C(CCCOC1CCCCO1)Oc1ccccc1.
What is the InChIKey of phenyl 4-(oxan-2-yloxy)butanoate?
The InChIKey is UIBNZNJILUYGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c16-14(19-13-7-2-1-3-8-13)9-6-12-18-15-10-4-5-11-17-15/h1-3,7-8,15H,4-6,9-12H2.
What are the key properties of phenyl 4-(oxan-2-yloxy)butanoate?
phenyl 4-(oxan-2-yloxy)butanoate has a molecular weight of 264.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(oxan-2-yloxy)butanoate is sourced from PubChem (CID 86032233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).