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

C10H12O3 — CID 698281

IUPAC3-(1,3-dioxan-2-yl)phenol
SMILESOc1cccc(C2OCCCO2)c1
InChIInChI=1S/C10H12O3/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10-11H,2,5-6H2
InChIKeyVHJWMDJIOFWMIG-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.83
Rot. Bonds1

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

3-(1,3-dioxan-2-yl)phenol (PubChem CID 698281) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-(1,3-dioxan-2-yl)phenol.

Molecular Properties

Compound Name3-(1,3-dioxan-2-yl)phenol
PubChem CID698281
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-(1,3-dioxan-2-yl)phenol
SMILESOc1cccc(C2OCCCO2)c1
InChIInChI=1S/C10H12O3/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10-11H,2,5-6H2
InChIKeyVHJWMDJIOFWMIG-UHFFFAOYSA-N
XLogP1.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxan-2-yl)phenol?
The IUPAC name of 3-(1,3-dioxan-2-yl)phenol (CID 698281) is 3-(1,3-dioxan-2-yl)phenol.
What is the SMILES notation for 3-(1,3-dioxan-2-yl)phenol?
The canonical SMILES for 3-(1,3-dioxan-2-yl)phenol is Oc1cccc(C2OCCCO2)c1.
What is the InChIKey of 3-(1,3-dioxan-2-yl)phenol?
The InChIKey is VHJWMDJIOFWMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10-11H,2,5-6H2.
What are the key properties of 3-(1,3-dioxan-2-yl)phenol?
3-(1,3-dioxan-2-yl)phenol has a molecular weight of 180.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxan-2-yl)phenol is sourced from PubChem (CID 698281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).