3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride

C16H15ClO2 — CID 87835079

IUPAC3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride
SMILESCOc1cc(C)c(-c2cccc(C(=O)Cl)c2)c(C)c1
InChIInChI=1S/C16H15ClO2/c1-10-7-14(19-3)8-11(2)15(10)12-5-4-6-13(9-12)16(17)18/h4-9H,1-3H3
InChIKeyVYCIKMSFUFCSSR-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.36
Rot. Bonds3

About 3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride

3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride (PubChem CID 87835079) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride.

Molecular Properties

Compound Name3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride
PubChem CID87835079
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride
SMILESCOc1cc(C)c(-c2cccc(C(=O)Cl)c2)c(C)c1
InChIInChI=1S/C16H15ClO2/c1-10-7-14(19-3)8-11(2)15(10)12-5-4-6-13(9-12)16(17)18/h4-9H,1-3H3
InChIKeyVYCIKMSFUFCSSR-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.36
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

3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride
CID 58299502
3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
CID 12023926
1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
CID 54911823
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
(4-chloro-3-methylphenyl) 3-(4-methoxyphenyl)benzoate
CID 5158333
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
CID 69438870
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818
4-(2,6-dimethylphenyl)benzoyl chloride
CID 87540667
methyl 3-(2-methyl-6-sulfanylphenyl)benzoate
CID 174321079
3-methoxy-5-methylnaphthalene-1-carbonyl chloride
CID 11075375
[3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone
CID 56970113

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride?
The IUPAC name of 3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride (CID 87835079) is 3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride.
What is the SMILES notation for 3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride?
The canonical SMILES for 3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride is COc1cc(C)c(-c2cccc(C(=O)Cl)c2)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride?
The InChIKey is VYCIKMSFUFCSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-7-14(19-3)8-11(2)15(10)12-5-4-6-13(9-12)16(17)18/h4-9H,1-3H3.
What are the key properties of 3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride?
3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride has a molecular weight of 274.75 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride is sourced from PubChem (CID 87835079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).