4-chloro-5-methoxy-2-methylbenzaldehyde

C9H9ClO2 — CID 84769512

IUPAC4-chloro-5-methoxy-2-methylbenzaldehyde
SMILESCOc1cc(C=O)c(C)cc1Cl
InChIInChI=1S/C9H9ClO2/c1-6-3-8(10)9(12-2)4-7(6)5-11/h3-5H,1-2H3
InChIKeyVEFZLYYQEMCKRM-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.47
Rot. Bonds2

About 4-chloro-5-methoxy-2-methylbenzaldehyde

4-chloro-5-methoxy-2-methylbenzaldehyde (PubChem CID 84769512) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-methylbenzaldehyde
PubChem CID84769512
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name4-chloro-5-methoxy-2-methylbenzaldehyde
SMILESCOc1cc(C=O)c(C)cc1Cl
InChIInChI=1S/C9H9ClO2/c1-6-3-8(10)9(12-2)4-7(6)5-11/h3-5H,1-2H3
InChIKeyVEFZLYYQEMCKRM-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.47
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

4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171004500
2-acetyl-4-chloro-5-methoxybenzaldehyde
CID 171002422
4-tert-butyl-5-methoxy-2-methylbenzaldehyde
CID 105459168
N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide
CID 84791687
5-chloro-2,4-dimethylbenzaldehyde
CID 82645261
5-bromo-4-chloro-2-methylbenzaldehyde
CID 84796500
ethyl 2-(5-chloro-2-formyl-4-methoxyphenyl)acetate
CID 171005430
5-ethenyl-4-methoxy-2-methylbenzaldehyde
CID 167242721
4-chloro-5-methoxy-2-methylphenol
CID 21341377
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde
CID 59223904
5-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171022024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-methylbenzaldehyde?
The IUPAC name of 4-chloro-5-methoxy-2-methylbenzaldehyde (CID 84769512) is 4-chloro-5-methoxy-2-methylbenzaldehyde.
What is the SMILES notation for 4-chloro-5-methoxy-2-methylbenzaldehyde?
The canonical SMILES for 4-chloro-5-methoxy-2-methylbenzaldehyde is COc1cc(C=O)c(C)cc1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-methylbenzaldehyde?
The InChIKey is VEFZLYYQEMCKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-6-3-8(10)9(12-2)4-7(6)5-11/h3-5H,1-2H3.
What are the key properties of 4-chloro-5-methoxy-2-methylbenzaldehyde?
4-chloro-5-methoxy-2-methylbenzaldehyde has a molecular weight of 184.62 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-methylbenzaldehyde is sourced from PubChem (CID 84769512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).