4-chloro-6-methylbenzene-1,3-dicarbaldehyde

C9H7ClO2 — CID 3839344

IUPAC4-chloro-6-methylbenzene-1,3-dicarbaldehyde
SMILESCc1cc(Cl)c(C=O)cc1C=O
InChIInChI=1S/C9H7ClO2/c1-6-2-9(10)8(5-12)3-7(6)4-11/h2-5H,1H3
InChIKeyMUBAWHNDELVXAR-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.27
Rot. Bonds2

About 4-chloro-6-methylbenzene-1,3-dicarbaldehyde

4-chloro-6-methylbenzene-1,3-dicarbaldehyde (PubChem CID 3839344) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is 4-chloro-6-methylbenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name4-chloro-6-methylbenzene-1,3-dicarbaldehyde
PubChem CID3839344
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name4-chloro-6-methylbenzene-1,3-dicarbaldehyde
SMILESCc1cc(Cl)c(C=O)cc1C=O
InChIInChI=1S/C9H7ClO2/c1-6-2-9(10)8(5-12)3-7(6)4-11/h2-5H,1H3
InChIKeyMUBAWHNDELVXAR-UHFFFAOYSA-N
XLogP2.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.27
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 4-chloro-6-methylbenzene-1,3-dicarbaldehyde?
The IUPAC name of 4-chloro-6-methylbenzene-1,3-dicarbaldehyde (CID 3839344) is 4-chloro-6-methylbenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 4-chloro-6-methylbenzene-1,3-dicarbaldehyde?
The canonical SMILES for 4-chloro-6-methylbenzene-1,3-dicarbaldehyde is Cc1cc(Cl)c(C=O)cc1C=O.
What is the InChIKey of 4-chloro-6-methylbenzene-1,3-dicarbaldehyde?
The InChIKey is MUBAWHNDELVXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c1-6-2-9(10)8(5-12)3-7(6)4-11/h2-5H,1H3.
What are the key properties of 4-chloro-6-methylbenzene-1,3-dicarbaldehyde?
4-chloro-6-methylbenzene-1,3-dicarbaldehyde has a molecular weight of 182.61 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylbenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 3839344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).