2-(3-chloro-4-methylphenyl)benzaldehyde

C14H11ClO — CID 115504091

IUPAC2-(3-chloro-4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccccc2C=O)cc1Cl
InChIInChI=1S/C14H11ClO/c1-10-6-7-11(8-14(10)15)13-5-3-2-4-12(13)9-16/h2-9H,1H3
InChIKeySSPUXBLNDSSJIE-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.13
Rot. Bonds2

About 2-(3-chloro-4-methylphenyl)benzaldehyde

2-(3-chloro-4-methylphenyl)benzaldehyde (PubChem CID 115504091) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)benzaldehyde
PubChem CID115504091
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name2-(3-chloro-4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccccc2C=O)cc1Cl
InChIInChI=1S/C14H11ClO/c1-10-6-7-11(8-14(10)15)13-5-3-2-4-12(13)9-16/h2-9H,1H3
InChIKeySSPUXBLNDSSJIE-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.13
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-(3-chloro-4-methylphenyl)benzaldehyde?
The IUPAC name of 2-(3-chloro-4-methylphenyl)benzaldehyde (CID 115504091) is 2-(3-chloro-4-methylphenyl)benzaldehyde.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)benzaldehyde?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)benzaldehyde is Cc1ccc(-c2ccccc2C=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)benzaldehyde?
The InChIKey is SSPUXBLNDSSJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c1-10-6-7-11(8-14(10)15)13-5-3-2-4-12(13)9-16/h2-9H,1H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)benzaldehyde?
2-(3-chloro-4-methylphenyl)benzaldehyde has a molecular weight of 230.69 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)benzaldehyde is sourced from PubChem (CID 115504091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).