4-chloro-2-methylbenzaldehyde

C8H7ClO — CID 2757658

IUPAC4-chloro-2-methylbenzaldehyde
SMILESCc1cc(Cl)ccc1C=O
InChIInChI=1S/C8H7ClO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3
InChIKeyYLXSEAVHGJWSTK-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.46
Rot. Bonds1

About 4-chloro-2-methylbenzaldehyde

4-chloro-2-methylbenzaldehyde (PubChem CID 2757658) has the molecular formula C8H7ClO and a molecular weight of 154.60 g/mol. Its IUPAC name is 4-chloro-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-chloro-2-methylbenzaldehyde
PubChem CID2757658
Molecular FormulaC8H7ClO
Molecular Weight154.60 g/mol
Exact Mass154.02
IUPAC Name4-chloro-2-methylbenzaldehyde
SMILESCc1cc(Cl)ccc1C=O
InChIInChI=1S/C8H7ClO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3
InChIKeyYLXSEAVHGJWSTK-UHFFFAOYSA-N
XLogP2.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2-methylbenzaldehyde?
The IUPAC name of 4-chloro-2-methylbenzaldehyde (CID 2757658) is 4-chloro-2-methylbenzaldehyde.
What is the SMILES notation for 4-chloro-2-methylbenzaldehyde?
The canonical SMILES for 4-chloro-2-methylbenzaldehyde is Cc1cc(Cl)ccc1C=O.
What is the InChIKey of 4-chloro-2-methylbenzaldehyde?
The InChIKey is YLXSEAVHGJWSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3.
What are the key properties of 4-chloro-2-methylbenzaldehyde?
4-chloro-2-methylbenzaldehyde has a molecular weight of 154.60 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylbenzaldehyde is sourced from PubChem (CID 2757658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).