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

C13H18O3 — CID 115033330

IUPAC2-[2-(oxan-3-yl)phenoxy]ethanol
SMILESOCCOc1ccccc1C1CCCOC1
InChIInChI=1S/C13H18O3/c14-7-9-16-13-6-2-1-5-12(13)11-4-3-8-15-10-11/h1-2,5-6,11,14H,3-4,7-10H2
InChIKeyRLVUPUFMZNDAIZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.95
Rot. Bonds4

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

2-[2-(oxan-3-yl)phenoxy]ethanol (PubChem CID 115033330) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[2-(oxan-3-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(oxan-3-yl)phenoxy]ethanol
PubChem CID115033330
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-[2-(oxan-3-yl)phenoxy]ethanol
SMILESOCCOc1ccccc1C1CCCOC1
InChIInChI=1S/C13H18O3/c14-7-9-16-13-6-2-1-5-12(13)11-4-3-8-15-10-11/h1-2,5-6,11,14H,3-4,7-10H2
InChIKeyRLVUPUFMZNDAIZ-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-[2-(oxan-3-yl)phenoxy]ethanol?
The IUPAC name of 2-[2-(oxan-3-yl)phenoxy]ethanol (CID 115033330) is 2-[2-(oxan-3-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[2-(oxan-3-yl)phenoxy]ethanol?
The canonical SMILES for 2-[2-(oxan-3-yl)phenoxy]ethanol is OCCOc1ccccc1C1CCCOC1.
What is the InChIKey of 2-[2-(oxan-3-yl)phenoxy]ethanol?
The InChIKey is RLVUPUFMZNDAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-7-9-16-13-6-2-1-5-12(13)11-4-3-8-15-10-11/h1-2,5-6,11,14H,3-4,7-10H2.
What are the key properties of 2-[2-(oxan-3-yl)phenoxy]ethanol?
2-[2-(oxan-3-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-[2-(oxan-3-yl)phenoxy]ethanol is sourced from PubChem (CID 115033330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).