3-[3-(oxan-3-yl)phenoxy]propan-1-ol

C14H20O3 — CID 115041496

IUPAC3-[3-(oxan-3-yl)phenoxy]propan-1-ol
SMILESOCCCOc1cccc(C2CCCOC2)c1
InChIInChI=1S/C14H20O3/c15-7-3-9-17-14-6-1-4-12(10-14)13-5-2-8-16-11-13/h1,4,6,10,13,15H,2-3,5,7-9,11H2
InChIKeyNOSXFJXNUQLFOX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.34
Rot. Bonds5

About 3-[3-(oxan-3-yl)phenoxy]propan-1-ol

3-[3-(oxan-3-yl)phenoxy]propan-1-ol (PubChem CID 115041496) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[3-(oxan-3-yl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(oxan-3-yl)phenoxy]propan-1-ol
PubChem CID115041496
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-[3-(oxan-3-yl)phenoxy]propan-1-ol
SMILESOCCCOc1cccc(C2CCCOC2)c1
InChIInChI=1S/C14H20O3/c15-7-3-9-17-14-6-1-4-12(10-14)13-5-2-8-16-11-13/h1,4,6,10,13,15H,2-3,5,7-9,11H2
InChIKeyNOSXFJXNUQLFOX-UHFFFAOYSA-N
XLogP2.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[3-(oxan-3-yl)phenoxy]propan-1-ol?
The IUPAC name of 3-[3-(oxan-3-yl)phenoxy]propan-1-ol (CID 115041496) is 3-[3-(oxan-3-yl)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(oxan-3-yl)phenoxy]propan-1-ol?
The canonical SMILES for 3-[3-(oxan-3-yl)phenoxy]propan-1-ol is OCCCOc1cccc(C2CCCOC2)c1.
What is the InChIKey of 3-[3-(oxan-3-yl)phenoxy]propan-1-ol?
The InChIKey is NOSXFJXNUQLFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c15-7-3-9-17-14-6-1-4-12(10-14)13-5-2-8-16-11-13/h1,4,6,10,13,15H,2-3,5,7-9,11H2.
What are the key properties of 3-[3-(oxan-3-yl)phenoxy]propan-1-ol?
3-[3-(oxan-3-yl)phenoxy]propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxan-3-yl)phenoxy]propan-1-ol is sourced from PubChem (CID 115041496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).