3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde

C15H10Cl2O2 — CID 173369979

IUPAC3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde
SMILESCc1ccc(C(=O)c2c(C=O)ccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H10Cl2O2/c1-9-2-4-10(5-3-9)15(19)13-11(8-18)6-7-12(16)14(13)17/h2-8H,1H3
InChIKeyHDROVPUZVNHHIS-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.35
Rot. Bonds3

About 3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde

3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde (PubChem CID 173369979) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is 3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde.

Molecular Properties

Compound Name3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde
PubChem CID173369979
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde
SMILESCc1ccc(C(=O)c2c(C=O)ccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H10Cl2O2/c1-9-2-4-10(5-3-9)15(19)13-11(8-18)6-7-12(16)14(13)17/h2-8H,1H3
InChIKeyHDROVPUZVNHHIS-UHFFFAOYSA-N
XLogP4.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde?
The IUPAC name of 3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde (CID 173369979) is 3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde.
What is the SMILES notation for 3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde?
The canonical SMILES for 3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde is Cc1ccc(C(=O)c2c(C=O)ccc(Cl)c2Cl)cc1.
What is the InChIKey of 3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde?
The InChIKey is HDROVPUZVNHHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c1-9-2-4-10(5-3-9)15(19)13-11(8-18)6-7-12(16)14(13)17/h2-8H,1H3.
What are the key properties of 3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde?
3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde has a molecular weight of 293.15 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde is sourced from PubChem (CID 173369979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).