2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde

C10H7ClO3 — CID 13464714

IUPAC2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde
SMILESCc1c(C=O)cc(C=O)c(Cl)c1C=O
InChIInChI=1S/C10H7ClO3/c1-6-7(3-12)2-8(4-13)10(11)9(6)5-14/h2-5H,1H3
InChIKeyRLSMXGXRMIXJHR-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.09
Rot. Bonds3

About 2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde

2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde (PubChem CID 13464714) has the molecular formula C10H7ClO3 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde.

Molecular Properties

Compound Name2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde
PubChem CID13464714
Molecular FormulaC10H7ClO3
Molecular Weight210.62 g/mol
Exact Mass210.01
IUPAC Name2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde
SMILESCc1c(C=O)cc(C=O)c(Cl)c1C=O
InChIInChI=1S/C10H7ClO3/c1-6-7(3-12)2-8(4-13)10(11)9(6)5-14/h2-5H,1H3
InChIKeyRLSMXGXRMIXJHR-UHFFFAOYSA-N
XLogP2.09
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-methylbenzene-1,3-dicarbaldehyde
CID 141225614
2,3,5-trichloroterephthalaldehyde
CID 154087968
2,3-dichloro-5-fluoroterephthalaldehyde
CID 87294892
(2-chloro-3-formyl-5-methylphenyl)boronic acid
CID 164890745
3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde
CID 105453179
3-bromo-5-chloro-2,6-dimethylbenzaldehyde
CID 84737534
5-tert-butyl-2-methylbenzene-1,3-dicarbaldehyde
CID 10965619
3-acetyl-2-chloro-5-methylbenzaldehyde
CID 171003545
5-acetyl-3-chloro-2-methylbenzaldehyde
CID 171003493
3-chloro-5-fluoro-2,6-dimethylbenzaldehyde
CID 84732821
5-chloro-2,4-dimethylbenzaldehyde
CID 82645261
3,5-dimethylphthalaldehyde
CID 23156924

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde?
The IUPAC name of 2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde (CID 13464714) is 2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde.
What is the SMILES notation for 2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde?
The canonical SMILES for 2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde is Cc1c(C=O)cc(C=O)c(Cl)c1C=O.
What is the InChIKey of 2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde?
The InChIKey is RLSMXGXRMIXJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3/c1-6-7(3-12)2-8(4-13)10(11)9(6)5-14/h2-5H,1H3.
What are the key properties of 2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde?
2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde has a molecular weight of 210.62 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylbenzene-1,3,5-tricarbaldehyde is sourced from PubChem (CID 13464714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).