2-(2-chloro-3-methylphenyl)acetaldehyde

C9H9ClO — CID 59259547

IUPAC2-(2-chloro-3-methylphenyl)acetaldehyde
SMILESCc1cccc(CC=O)c1Cl
InChIInChI=1S/C9H9ClO/c1-7-3-2-4-8(5-6-11)9(7)10/h2-4,6H,5H2,1H3
InChIKeyDIHAPJQGBUYMPO-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.39
Rot. Bonds2

About 2-(2-chloro-3-methylphenyl)acetaldehyde

2-(2-chloro-3-methylphenyl)acetaldehyde (PubChem CID 59259547) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 2-(2-chloro-3-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-chloro-3-methylphenyl)acetaldehyde
PubChem CID59259547
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name2-(2-chloro-3-methylphenyl)acetaldehyde
SMILESCc1cccc(CC=O)c1Cl
InChIInChI=1S/C9H9ClO/c1-7-3-2-4-8(5-6-11)9(7)10/h2-4,6H,5H2,1H3
InChIKeyDIHAPJQGBUYMPO-UHFFFAOYSA-N
XLogP2.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.39
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-(2-chloro-3-methylphenyl)acetaldehyde?
The IUPAC name of 2-(2-chloro-3-methylphenyl)acetaldehyde (CID 59259547) is 2-(2-chloro-3-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-(2-chloro-3-methylphenyl)acetaldehyde?
The canonical SMILES for 2-(2-chloro-3-methylphenyl)acetaldehyde is Cc1cccc(CC=O)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methylphenyl)acetaldehyde?
The InChIKey is DIHAPJQGBUYMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c1-7-3-2-4-8(5-6-11)9(7)10/h2-4,6H,5H2,1H3.
What are the key properties of 2-(2-chloro-3-methylphenyl)acetaldehyde?
2-(2-chloro-3-methylphenyl)acetaldehyde has a molecular weight of 168.62 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylphenyl)acetaldehyde is sourced from PubChem (CID 59259547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).