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

C11H13ClO2 — CID 116924645

IUPAC4-methoxy-2,3,5-trimethylbenzoyl chloride
SMILESCOc1c(C)cc(C(=O)Cl)c(C)c1C
InChIInChI=1S/C11H13ClO2/c1-6-5-9(11(12)13)7(2)8(3)10(6)14-4/h5H,1-4H3
InChIKeyXYCDCDICBGRMHH-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.00
Rot. Bonds2

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

4-methoxy-2,3,5-trimethylbenzoyl chloride (PubChem CID 116924645) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-methoxy-2,3,5-trimethylbenzoyl chloride.

Molecular Properties

Compound Name4-methoxy-2,3,5-trimethylbenzoyl chloride
PubChem CID116924645
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name4-methoxy-2,3,5-trimethylbenzoyl chloride
SMILESCOc1c(C)cc(C(=O)Cl)c(C)c1C
InChIInChI=1S/C11H13ClO2/c1-6-5-9(11(12)13)7(2)8(3)10(6)14-4/h5H,1-4H3
InChIKeyXYCDCDICBGRMHH-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-2,3,5-trimethylphenyl)-2-oxoacetic acid
CID 82286864
1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
CID 82053774
2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82053775
2,2,2-trifluoro-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82295022
ethane;3-methoxy-2,4,6-trimethylbenzoyl chloride
CID 142212936
4-methoxy-N',2,3,5-tetramethylbenzohydrazide
CID 116846887
5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride
CID 50883137
2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride
CID 59202337
(4-methoxy-2,3,5-trimethylphenyl)-(oxiran-2-yl)methanone
CID 116826450
1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone
CID 96675991
4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one
CID 116916007
4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110762901

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,5-trimethylbenzoyl chloride?
The IUPAC name of 4-methoxy-2,3,5-trimethylbenzoyl chloride (CID 116924645) is 4-methoxy-2,3,5-trimethylbenzoyl chloride.
What is the SMILES notation for 4-methoxy-2,3,5-trimethylbenzoyl chloride?
The canonical SMILES for 4-methoxy-2,3,5-trimethylbenzoyl chloride is COc1c(C)cc(C(=O)Cl)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,5-trimethylbenzoyl chloride?
The InChIKey is XYCDCDICBGRMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-6-5-9(11(12)13)7(2)8(3)10(6)14-4/h5H,1-4H3.
What are the key properties of 4-methoxy-2,3,5-trimethylbenzoyl chloride?
4-methoxy-2,3,5-trimethylbenzoyl chloride has a molecular weight of 212.68 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,5-trimethylbenzoyl chloride is sourced from PubChem (CID 116924645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).