3-(1,3-dioxolan-2-yl)phenol

C9H10O3 — CID 13280119

IUPAC3-(1,3-dioxolan-2-yl)phenol
SMILESOc1cccc(C2OCCO2)c1
InChIInChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9-10H,4-5H2
InChIKeyORZIHESPONWBAJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.44
Rot. Bonds1

About 3-(1,3-dioxolan-2-yl)phenol

3-(1,3-dioxolan-2-yl)phenol (PubChem CID 13280119) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)phenol.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)phenol
PubChem CID13280119
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name3-(1,3-dioxolan-2-yl)phenol
SMILESOc1cccc(C2OCCO2)c1
InChIInChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9-10H,4-5H2
InChIKeyORZIHESPONWBAJ-UHFFFAOYSA-N
XLogP1.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)phenol?
The IUPAC name of 3-(1,3-dioxolan-2-yl)phenol (CID 13280119) is 3-(1,3-dioxolan-2-yl)phenol.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)phenol?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)phenol is Oc1cccc(C2OCCO2)c1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)phenol?
The InChIKey is ORZIHESPONWBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9-10H,4-5H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)phenol?
3-(1,3-dioxolan-2-yl)phenol has a molecular weight of 166.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)phenol is sourced from PubChem (CID 13280119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).