2-(1,3-dioxolan-2-yl)benzene-1,4-diol

C9H10O4 — CID 55255656

IUPAC2-(1,3-dioxolan-2-yl)benzene-1,4-diol
SMILESOc1ccc(O)c(C2OCCO2)c1
InChIInChI=1S/C9H10O4/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-2,5,9-11H,3-4H2
InChIKeyRBBISJVVPJBDPS-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.14
Rot. Bonds1

About 2-(1,3-dioxolan-2-yl)benzene-1,4-diol

2-(1,3-dioxolan-2-yl)benzene-1,4-diol (PubChem CID 55255656) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)benzene-1,4-diol
PubChem CID55255656
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Name2-(1,3-dioxolan-2-yl)benzene-1,4-diol
SMILESOc1ccc(O)c(C2OCCO2)c1
InChIInChI=1S/C9H10O4/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-2,5,9-11H,3-4H2
InChIKeyRBBISJVVPJBDPS-UHFFFAOYSA-N
XLogP1.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(1,3-dioxolan-2-yl)benzene-1,4-diol (CID 55255656) is 2-(1,3-dioxolan-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)benzene-1,4-diol is Oc1ccc(O)c(C2OCCO2)c1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)benzene-1,4-diol?
The InChIKey is RBBISJVVPJBDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-2,5,9-11H,3-4H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)benzene-1,4-diol?
2-(1,3-dioxolan-2-yl)benzene-1,4-diol has a molecular weight of 182.18 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)benzene-1,4-diol is sourced from PubChem (CID 55255656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).