2-(2-ethoxyphenyl)-1,3-dioxol-4-ol

C11H12O4 — CID 70227941

IUPAC2-(2-ethoxyphenyl)-1,3-dioxol-4-ol
SMILESCCOc1ccccc1C1OC=C(O)O1
InChIInChI=1S/C11H12O4/c1-2-13-9-6-4-3-5-8(9)11-14-7-10(12)15-11/h3-7,11-12H,2H2,1H3
InChIKeyRQPPKXLOSWIHKO-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-ethoxyphenyl)-1,3-dioxol-4-ol

2-(2-ethoxyphenyl)-1,3-dioxol-4-ol (PubChem CID 70227941) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1,3-dioxol-4-ol.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1,3-dioxol-4-ol
PubChem CID70227941
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(2-ethoxyphenyl)-1,3-dioxol-4-ol
SMILESCCOc1ccccc1C1OC=C(O)O1
InChIInChI=1S/C11H12O4/c1-2-13-9-6-4-3-5-8(9)11-14-7-10(12)15-11/h3-7,11-12H,2H2,1H3
InChIKeyRQPPKXLOSWIHKO-UHFFFAOYSA-N
XLogP2.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1,3-dioxol-4-ol?
The IUPAC name of 2-(2-ethoxyphenyl)-1,3-dioxol-4-ol (CID 70227941) is 2-(2-ethoxyphenyl)-1,3-dioxol-4-ol.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1,3-dioxol-4-ol?
The canonical SMILES for 2-(2-ethoxyphenyl)-1,3-dioxol-4-ol is CCOc1ccccc1C1OC=C(O)O1.
What is the InChIKey of 2-(2-ethoxyphenyl)-1,3-dioxol-4-ol?
The InChIKey is RQPPKXLOSWIHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-13-9-6-4-3-5-8(9)11-14-7-10(12)15-11/h3-7,11-12H,2H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-1,3-dioxol-4-ol?
2-(2-ethoxyphenyl)-1,3-dioxol-4-ol has a molecular weight of 208.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1,3-dioxol-4-ol is sourced from PubChem (CID 70227941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).