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

C10H10O3 — CID 12503804

IUPAC3-(1,3-dioxolan-2-yl)benzaldehyde
SMILESO=Cc1cccc(C2OCCO2)c1
InChIInChI=1S/C10H10O3/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h1-3,6-7,10H,4-5H2
InChIKeyLVHULPFZAXZJBD-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.54
Rot. Bonds2

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

3-(1,3-dioxolan-2-yl)benzaldehyde (PubChem CID 12503804) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)benzaldehyde.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)benzaldehyde
PubChem CID12503804
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name3-(1,3-dioxolan-2-yl)benzaldehyde
SMILESO=Cc1cccc(C2OCCO2)c1
InChIInChI=1S/C10H10O3/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h1-3,6-7,10H,4-5H2
InChIKeyLVHULPFZAXZJBD-UHFFFAOYSA-N
XLogP1.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)benzaldehyde?
The IUPAC name of 3-(1,3-dioxolan-2-yl)benzaldehyde (CID 12503804) is 3-(1,3-dioxolan-2-yl)benzaldehyde.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)benzaldehyde?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)benzaldehyde is O=Cc1cccc(C2OCCO2)c1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)benzaldehyde?
The InChIKey is LVHULPFZAXZJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h1-3,6-7,10H,4-5H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)benzaldehyde?
3-(1,3-dioxolan-2-yl)benzaldehyde has a molecular weight of 178.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)benzaldehyde is sourced from PubChem (CID 12503804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).