3-chloro-2,4,6-trimethylbenzoyl chloride

C10H10Cl2O — CID 82633638

IUPAC3-chloro-2,4,6-trimethylbenzoyl chloride
SMILESCc1cc(C)c(C(=O)Cl)c(C)c1Cl
InChIInChI=1S/C10H10Cl2O/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4H,1-3H3
InChIKeyLHWKALAAADYYLC-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.64
Rot. Bonds1

About 3-chloro-2,4,6-trimethylbenzoyl chloride

3-chloro-2,4,6-trimethylbenzoyl chloride (PubChem CID 82633638) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 3-chloro-2,4,6-trimethylbenzoyl chloride.

Molecular Properties

Compound Name3-chloro-2,4,6-trimethylbenzoyl chloride
PubChem CID82633638
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name3-chloro-2,4,6-trimethylbenzoyl chloride
SMILESCc1cc(C)c(C(=O)Cl)c(C)c1Cl
InChIInChI=1S/C10H10Cl2O/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4H,1-3H3
InChIKeyLHWKALAAADYYLC-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4,6-trimethylbenzoyl chloride?
The IUPAC name of 3-chloro-2,4,6-trimethylbenzoyl chloride (CID 82633638) is 3-chloro-2,4,6-trimethylbenzoyl chloride.
What is the SMILES notation for 3-chloro-2,4,6-trimethylbenzoyl chloride?
The canonical SMILES for 3-chloro-2,4,6-trimethylbenzoyl chloride is Cc1cc(C)c(C(=O)Cl)c(C)c1Cl.
What is the InChIKey of 3-chloro-2,4,6-trimethylbenzoyl chloride?
The InChIKey is LHWKALAAADYYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4H,1-3H3.
What are the key properties of 3-chloro-2,4,6-trimethylbenzoyl chloride?
3-chloro-2,4,6-trimethylbenzoyl chloride has a molecular weight of 217.09 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4,6-trimethylbenzoyl chloride is sourced from PubChem (CID 82633638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).