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

C14H20O4 — CID 107712859

IUPAC2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol
SMILESOCCc1ccccc1OCCC1OCCCO1
InChIInChI=1S/C14H20O4/c15-8-6-12-4-1-2-5-13(12)16-11-7-14-17-9-3-10-18-14/h1-2,4-5,14-15H,3,6-11H2
InChIKeyMIIAWAIVEBMXPH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.75
Rot. Bonds6

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

2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol (PubChem CID 107712859) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol
PubChem CID107712859
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol
SMILESOCCc1ccccc1OCCC1OCCCO1
InChIInChI=1S/C14H20O4/c15-8-6-12-4-1-2-5-13(12)16-11-7-14-17-9-3-10-18-14/h1-2,4-5,14-15H,3,6-11H2
InChIKeyMIIAWAIVEBMXPH-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate
CID 146319161
2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane
CID 66475164
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 107713118
2-[2-(2,6-dimethoxyphenoxy)ethyl]-1,3-dioxane
CID 66473547
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184
2-(2-pentoxyphenyl)ethanol
CID 91657515
bromozinc(1+);2-[2-(phenoxy)ethyl]-1,3-dioxane
CID 133144683
2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane
CID 66472542
2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane
CID 66472751

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol (CID 107712859) is 2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol is OCCc1ccccc1OCCC1OCCCO1.
What is the InChIKey of 2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol?
The InChIKey is MIIAWAIVEBMXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c15-8-6-12-4-1-2-5-13(12)16-11-7-14-17-9-3-10-18-14/h1-2,4-5,14-15H,3,6-11H2.
What are the key properties of 2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol?
2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 107712859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).