7-chlorodibenzofuran-1-carbaldehyde

C13H7ClO2 — CID 177081256

IUPAC7-chlorodibenzofuran-1-carbaldehyde
SMILESO=Cc1cccc2oc3cc(Cl)ccc3c12
InChIInChI=1S/C13H7ClO2/c14-9-4-5-10-12(6-9)16-11-3-1-2-8(7-15)13(10)11/h1-7H
InChIKeyBHTSRWZDYYEAKZ-UHFFFAOYSA-N
MW230.65 g/mol
LogP4.05
Rot. Bonds1

About 7-chlorodibenzofuran-1-carbaldehyde

7-chlorodibenzofuran-1-carbaldehyde (PubChem CID 177081256) has the molecular formula C13H7ClO2 and a molecular weight of 230.65 g/mol. Its IUPAC name is 7-chlorodibenzofuran-1-carbaldehyde.

Molecular Properties

Compound Name7-chlorodibenzofuran-1-carbaldehyde
PubChem CID177081256
Molecular FormulaC13H7ClO2
Molecular Weight230.65 g/mol
Exact Mass230.01
IUPAC Name7-chlorodibenzofuran-1-carbaldehyde
SMILESO=Cc1cccc2oc3cc(Cl)ccc3c12
InChIInChI=1S/C13H7ClO2/c14-9-4-5-10-12(6-9)16-11-3-1-2-8(7-15)13(10)11/h1-7H
InChIKeyBHTSRWZDYYEAKZ-UHFFFAOYSA-N
XLogP4.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chlorodibenzofuran-1-carbaldehyde?
The IUPAC name of 7-chlorodibenzofuran-1-carbaldehyde (CID 177081256) is 7-chlorodibenzofuran-1-carbaldehyde.
What is the SMILES notation for 7-chlorodibenzofuran-1-carbaldehyde?
The canonical SMILES for 7-chlorodibenzofuran-1-carbaldehyde is O=Cc1cccc2oc3cc(Cl)ccc3c12.
What is the InChIKey of 7-chlorodibenzofuran-1-carbaldehyde?
The InChIKey is BHTSRWZDYYEAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClO2/c14-9-4-5-10-12(6-9)16-11-3-1-2-8(7-15)13(10)11/h1-7H.
What are the key properties of 7-chlorodibenzofuran-1-carbaldehyde?
7-chlorodibenzofuran-1-carbaldehyde has a molecular weight of 230.65 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorodibenzofuran-1-carbaldehyde is sourced from PubChem (CID 177081256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).