3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride

C16H15ClO3 — CID 58299502

IUPAC3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride
SMILESCOc1cc(C)cc(OC)c1-c1cccc(C(=O)Cl)c1
InChIInChI=1S/C16H15ClO3/c1-10-7-13(19-2)15(14(8-10)20-3)11-5-4-6-12(9-11)16(17)18/h4-9H,1-3H3
InChIKeyGBXGQZGYEPVAAO-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.06
Rot. Bonds4

About 3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride

3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride (PubChem CID 58299502) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride.

Molecular Properties

Compound Name3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride
PubChem CID58299502
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride
SMILESCOc1cc(C)cc(OC)c1-c1cccc(C(=O)Cl)c1
InChIInChI=1S/C16H15ClO3/c1-10-7-13(19-2)15(14(8-10)20-3)11-5-4-6-12(9-11)16(17)18/h4-9H,1-3H3
InChIKeyGBXGQZGYEPVAAO-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride
CID 87835079
3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
CID 12023926
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
3,5-dimethoxy-4-(3-methylphenyl)benzaldehyde
CID 87212227
3-(3-methoxy-4-methylphenyl)benzoic acid
CID 53216637
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818
[3-(3,5-dimethoxy-4-methylphenyl)phenyl]-(4-hydroxy-3,5-dimethoxyphenyl)methanone
CID 165402891
lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide
CID 158198466
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261
4-methoxy-3-(3-nitrophenyl)benzoyl chloride
CID 118072392
2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
CID 169130695

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride?
The IUPAC name of 3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride (CID 58299502) is 3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride.
What is the SMILES notation for 3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride?
The canonical SMILES for 3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride is COc1cc(C)cc(OC)c1-c1cccc(C(=O)Cl)c1.
What is the InChIKey of 3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride?
The InChIKey is GBXGQZGYEPVAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-10-7-13(19-2)15(14(8-10)20-3)11-5-4-6-12(9-11)16(17)18/h4-9H,1-3H3.
What are the key properties of 3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride?
3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride has a molecular weight of 290.75 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride is sourced from PubChem (CID 58299502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).