2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol

C14H20O4 — CID 69168553

IUPAC2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol
SMILESOCCOCCc1ccc(C2OCCCO2)cc1
InChIInChI=1S/C14H20O4/c15-7-11-16-10-6-12-2-4-13(5-3-12)14-17-8-1-9-18-14/h2-5,14-15H,1,6-11H2
InChIKeyIZYJOWALDYZXGE-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.67
Rot. Bonds6

About 2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol

2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol (PubChem CID 69168553) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol
PubChem CID69168553
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol
SMILESOCCOCCc1ccc(C2OCCCO2)cc1
InChIInChI=1S/C14H20O4/c15-7-11-16-10-6-12-2-4-13(5-3-12)14-17-8-1-9-18-14/h2-5,14-15H,1,6-11H2
InChIKeyIZYJOWALDYZXGE-UHFFFAOYSA-N
XLogP1.67
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol (CID 69168553) is 2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol is OCCOCCc1ccc(C2OCCCO2)cc1.
What is the InChIKey of 2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol?
The InChIKey is IZYJOWALDYZXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c15-7-11-16-10-6-12-2-4-13(5-3-12)14-17-8-1-9-18-14/h2-5,14-15H,1,6-11H2.
What are the key properties of 2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol?
2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol has a molecular weight of 252.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,3-dioxan-2-yl)phenyl]ethoxy]ethanol is sourced from PubChem (CID 69168553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).