4-chloro-2,3,5-trimethylbenzoyl chloride

C10H10Cl2O — CID 173294846

IUPAC4-chloro-2,3,5-trimethylbenzoyl chloride
SMILESCc1cc(C(=O)Cl)c(C)c(C)c1Cl
InChIInChI=1S/C10H10Cl2O/c1-5-4-8(10(12)13)6(2)7(3)9(5)11/h4H,1-3H3
InChIKeyIDTXDMQGHUQOQV-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.64
Rot. Bonds1

About 4-chloro-2,3,5-trimethylbenzoyl chloride

4-chloro-2,3,5-trimethylbenzoyl chloride (PubChem CID 173294846) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 4-chloro-2,3,5-trimethylbenzoyl chloride.

Molecular Properties

Compound Name4-chloro-2,3,5-trimethylbenzoyl chloride
PubChem CID173294846
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name4-chloro-2,3,5-trimethylbenzoyl chloride
SMILESCc1cc(C(=O)Cl)c(C)c(C)c1Cl
InChIInChI=1S/C10H10Cl2O/c1-5-4-8(10(12)13)6(2)7(3)9(5)11/h4H,1-3H3
InChIKeyIDTXDMQGHUQOQV-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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Related Compounds

2,4,6-Trimethylbenzoyl chloride
CID 97038
2,4-Dimethylbenzoyl chloride
CID 140867
2,3-Dimethylbenzoyl chloride
CID 2800899
2,6-Dimethylbenzoyl chloride
CID 89096
2,4,6-Triisopropylbenzoyl chloride
CID 92697
4'-Chloro-3'-methylacetophenone
CID 592743
8-Chlorochimaphilin
CID 10376193
2-Chloro-4-methylbenzoyl chloride
CID 15065186
1-(3-Chloro-4-methylphenyl)ethan-1-one
CID 342915
3,4-Dimethylbenzoyl chloride
CID 2758535
2-Chloro-2',4'-dimethylchalcone
CID 5709470
3,5-Dichloro-4-methylbenzoyl chloride
CID 11127919

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3,5-trimethylbenzoyl chloride?
The IUPAC name of 4-chloro-2,3,5-trimethylbenzoyl chloride (CID 173294846) is 4-chloro-2,3,5-trimethylbenzoyl chloride.
What is the SMILES notation for 4-chloro-2,3,5-trimethylbenzoyl chloride?
The canonical SMILES for 4-chloro-2,3,5-trimethylbenzoyl chloride is Cc1cc(C(=O)Cl)c(C)c(C)c1Cl.
What is the InChIKey of 4-chloro-2,3,5-trimethylbenzoyl chloride?
The InChIKey is IDTXDMQGHUQOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-5-4-8(10(12)13)6(2)7(3)9(5)11/h4H,1-3H3.
What are the key properties of 4-chloro-2,3,5-trimethylbenzoyl chloride?
4-chloro-2,3,5-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 4-chloro-2,3,5-trimethylbenzoyl chloride is sourced from PubChem (CID 173294846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).