2-[3-(oxan-4-yl)phenoxy]ethanol

C13H18O3 — CID 115033332

IUPAC2-[3-(oxan-4-yl)phenoxy]ethanol
SMILESOCCOc1cccc(C2CCOCC2)c1
InChIInChI=1S/C13H18O3/c14-6-9-16-13-3-1-2-12(10-13)11-4-7-15-8-5-11/h1-3,10-11,14H,4-9H2
InChIKeyPBSNLMGPVKDGNN-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.95
Rot. Bonds4

About 2-[3-(oxan-4-yl)phenoxy]ethanol

2-[3-(oxan-4-yl)phenoxy]ethanol (PubChem CID 115033332) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[3-(oxan-4-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-(oxan-4-yl)phenoxy]ethanol
PubChem CID115033332
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-[3-(oxan-4-yl)phenoxy]ethanol
SMILESOCCOc1cccc(C2CCOCC2)c1
InChIInChI=1S/C13H18O3/c14-6-9-16-13-3-1-2-12(10-13)11-4-7-15-8-5-11/h1-3,10-11,14H,4-9H2
InChIKeyPBSNLMGPVKDGNN-UHFFFAOYSA-N
XLogP1.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-4-yl)phenoxy]ethanol?
The IUPAC name of 2-[3-(oxan-4-yl)phenoxy]ethanol (CID 115033332) is 2-[3-(oxan-4-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[3-(oxan-4-yl)phenoxy]ethanol?
The canonical SMILES for 2-[3-(oxan-4-yl)phenoxy]ethanol is OCCOc1cccc(C2CCOCC2)c1.
What is the InChIKey of 2-[3-(oxan-4-yl)phenoxy]ethanol?
The InChIKey is PBSNLMGPVKDGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-6-9-16-13-3-1-2-12(10-13)11-4-7-15-8-5-11/h1-3,10-11,14H,4-9H2.
What are the key properties of 2-[3-(oxan-4-yl)phenoxy]ethanol?
2-[3-(oxan-4-yl)phenoxy]ethanol has a molecular weight of 222.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-4-yl)phenoxy]ethanol is sourced from PubChem (CID 115033332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).