2-chloro-3-methylbenzaldehyde

C8H7ClO — CID 14492779

IUPAC2-chloro-3-methylbenzaldehyde
SMILESCc1cccc(C=O)c1Cl
InChIInChI=1S/C8H7ClO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
InChIKeyLGOLMLQWRYFRHP-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.46
Rot. Bonds1

About 2-chloro-3-methylbenzaldehyde

2-chloro-3-methylbenzaldehyde (PubChem CID 14492779) has the molecular formula C8H7ClO and a molecular weight of 154.60 g/mol. Its IUPAC name is 2-chloro-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-chloro-3-methylbenzaldehyde
PubChem CID14492779
Molecular FormulaC8H7ClO
Molecular Weight154.60 g/mol
Exact Mass154.02
IUPAC Name2-chloro-3-methylbenzaldehyde
SMILESCc1cccc(C=O)c1Cl
InChIInChI=1S/C8H7ClO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
InChIKeyLGOLMLQWRYFRHP-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 2-chloro-3-methylbenzaldehyde?
The IUPAC name of 2-chloro-3-methylbenzaldehyde (CID 14492779) is 2-chloro-3-methylbenzaldehyde.
What is the SMILES notation for 2-chloro-3-methylbenzaldehyde?
The canonical SMILES for 2-chloro-3-methylbenzaldehyde is Cc1cccc(C=O)c1Cl.
What is the InChIKey of 2-chloro-3-methylbenzaldehyde?
The InChIKey is LGOLMLQWRYFRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3.
What are the key properties of 2-chloro-3-methylbenzaldehyde?
2-chloro-3-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 2-chloro-3-methylbenzaldehyde is sourced from PubChem (CID 14492779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).