2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde

C10H7BrO3 — CID 87202410

IUPAC2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde
SMILESO=CC1=COC(c2ccccc2Br)O1
InChIInChI=1S/C10H7BrO3/c11-9-4-2-1-3-8(9)10-13-6-7(5-12)14-10/h1-6,10H
InChIKeyCSQDYKRMFWQPAC-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.53
Rot. Bonds2

About 2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde

2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde (PubChem CID 87202410) has the molecular formula C10H7BrO3 and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde
PubChem CID87202410
Molecular FormulaC10H7BrO3
Molecular Weight255.07 g/mol
Exact Mass253.96
IUPAC Name2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde
SMILESO=CC1=COC(c2ccccc2Br)O1
InChIInChI=1S/C10H7BrO3/c11-9-4-2-1-3-8(9)10-13-6-7(5-12)14-10/h1-6,10H
InChIKeyCSQDYKRMFWQPAC-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.53
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 2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde?
The IUPAC name of 2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde (CID 87202410) is 2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde.
What is the SMILES notation for 2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde?
The canonical SMILES for 2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde is O=CC1=COC(c2ccccc2Br)O1.
What is the InChIKey of 2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde?
The InChIKey is CSQDYKRMFWQPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO3/c11-9-4-2-1-3-8(9)10-13-6-7(5-12)14-10/h1-6,10H.
What are the key properties of 2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde?
2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde has a molecular weight of 255.07 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1,3-dioxole-4-carbaldehyde is sourced from PubChem (CID 87202410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).