2-(2-ethoxyphenoxy)propane-1,3-diol

C11H16O4 — CID 3030872

IUPAC2-(2-ethoxyphenoxy)propane-1,3-diol
SMILESCCOc1ccccc1OC(CO)CO
InChIInChI=1S/C11H16O4/c1-2-14-10-5-3-4-6-11(10)15-9(7-12)8-13/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeySGXRCTSQYYTTLO-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.82
Rot. Bonds6

About 2-(2-ethoxyphenoxy)propane-1,3-diol

2-(2-ethoxyphenoxy)propane-1,3-diol (PubChem CID 3030872) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)propane-1,3-diol
PubChem CID3030872
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name2-(2-ethoxyphenoxy)propane-1,3-diol
SMILESCCOc1ccccc1OC(CO)CO
InChIInChI=1S/C11H16O4/c1-2-14-10-5-3-4-6-11(10)15-9(7-12)8-13/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeySGXRCTSQYYTTLO-UHFFFAOYSA-N
XLogP0.82
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
2-(2-ethoxyphenyl)-2-fluoroethanol
CID 105425466
4-(2-ethoxyphenoxy)pentan-2-one
CID 64698334
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
CID 83046479
2-[2-(2-ethoxyphenoxy)ethylsulfanyl]propan-1-ol
CID 113244524
1-(2-ethoxyphenoxy)butan-2-ol
CID 60878017
2-(2-ethoxyphenoxy)pentan-3-amine
CID 16793972
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
2-(2-ethoxyphenoxy)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704674
3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019083

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)propane-1,3-diol?
The IUPAC name of 2-(2-ethoxyphenoxy)propane-1,3-diol (CID 3030872) is 2-(2-ethoxyphenoxy)propane-1,3-diol.
What is the SMILES notation for 2-(2-ethoxyphenoxy)propane-1,3-diol?
The canonical SMILES for 2-(2-ethoxyphenoxy)propane-1,3-diol is CCOc1ccccc1OC(CO)CO.
What is the InChIKey of 2-(2-ethoxyphenoxy)propane-1,3-diol?
The InChIKey is SGXRCTSQYYTTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-14-10-5-3-4-6-11(10)15-9(7-12)8-13/h3-6,9,12-13H,2,7-8H2,1H3.
What are the key properties of 2-(2-ethoxyphenoxy)propane-1,3-diol?
2-(2-ethoxyphenoxy)propane-1,3-diol has a molecular weight of 212.25 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)propane-1,3-diol is sourced from PubChem (CID 3030872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).