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

C9H7ClO2 — CID 141225614

IUPAC2-chloro-4-methylbenzene-1,3-dicarbaldehyde
SMILESCc1ccc(C=O)c(Cl)c1C=O
InChIInChI=1S/C9H7ClO2/c1-6-2-3-7(4-11)9(10)8(6)5-12/h2-5H,1H3
InChIKeyRMJATRGMSILKRK-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.27
Rot. Bonds2

About 2-chloro-4-methylbenzene-1,3-dicarbaldehyde

2-chloro-4-methylbenzene-1,3-dicarbaldehyde (PubChem CID 141225614) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-chloro-4-methylbenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2-chloro-4-methylbenzene-1,3-dicarbaldehyde
PubChem CID141225614
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name2-chloro-4-methylbenzene-1,3-dicarbaldehyde
SMILESCc1ccc(C=O)c(Cl)c1C=O
InChIInChI=1S/C9H7ClO2/c1-6-2-3-7(4-11)9(10)8(6)5-12/h2-5H,1H3
InChIKeyRMJATRGMSILKRK-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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Related Compounds

3-chloro-2-fluoro-4-methylbenzaldehyde
CID 118990191
3-acetyl-2-chloro-4-methylbenzaldehyde
CID 171003597
2-chloro-6-methyl-3-nitrobenzaldehyde
CID 119014184
2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde
CID 13464714
(3-chloro-2-formyl-4-methylphenyl)boronic acid
CID 57497269
2,6-dimethylbenzaldehyde
CID 159545887
2-chloro-3-fluoroterephthalaldehyde
CID 87294341
3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde
CID 164895663
(3-chloro-2-fluoro-4-formylphenyl)boronic acid
CID 164891758
5,8-dimethylnaphthalene-2,3-dicarbaldehyde
CID 12579975
2-chloro-3-fluoro-4-methylsulfanylbenzaldehyde
CID 146035038
7-chloro-3-methyl-1,2-benzoxazole-6-carbaldehyde
CID 117110078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylbenzene-1,3-dicarbaldehyde?
The IUPAC name of 2-chloro-4-methylbenzene-1,3-dicarbaldehyde (CID 141225614) is 2-chloro-4-methylbenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 2-chloro-4-methylbenzene-1,3-dicarbaldehyde?
The canonical SMILES for 2-chloro-4-methylbenzene-1,3-dicarbaldehyde is Cc1ccc(C=O)c(Cl)c1C=O.
What is the InChIKey of 2-chloro-4-methylbenzene-1,3-dicarbaldehyde?
The InChIKey is RMJATRGMSILKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c1-6-2-3-7(4-11)9(10)8(6)5-12/h2-5H,1H3.
What are the key properties of 2-chloro-4-methylbenzene-1,3-dicarbaldehyde?
2-chloro-4-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 2-chloro-4-methylbenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 141225614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).