3,4-dichloro-5-methoxybenzoyl chloride

C8H5Cl3O2 — CID 21483940

IUPAC3,4-dichloro-5-methoxybenzoyl chloride
SMILESCOc1cc(C(=O)Cl)cc(Cl)c1Cl
InChIInChI=1S/C8H5Cl3O2/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3H,1H3
InChIKeyFWNPCROQQMWXCA-UHFFFAOYSA-N
MW239.48 g/mol
LogP3.38
Rot. Bonds2

About 3,4-dichloro-5-methoxybenzoyl chloride

3,4-dichloro-5-methoxybenzoyl chloride (PubChem CID 21483940) has the molecular formula C8H5Cl3O2 and a molecular weight of 239.48 g/mol. Its IUPAC name is 3,4-dichloro-5-methoxybenzoyl chloride.

Molecular Properties

Compound Name3,4-dichloro-5-methoxybenzoyl chloride
PubChem CID21483940
Molecular FormulaC8H5Cl3O2
Molecular Weight239.48 g/mol
Exact Mass237.94
IUPAC Name3,4-dichloro-5-methoxybenzoyl chloride
SMILESCOc1cc(C(=O)Cl)cc(Cl)c1Cl
InChIInChI=1S/C8H5Cl3O2/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3H,1H3
InChIKeyFWNPCROQQMWXCA-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.48
LogP ≤ 53.38
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

2,6-dimethoxybenzene-1,4-dicarbonyl chloride
CID 54570871
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
3-chloro-4-hexoxy-5-methoxybenzoyl chloride
CID 10063669
methyl 3,4-dichloro-5-(difluoromethoxy)benzoate
CID 121228221
ethane;methyl 4-chloro-3-methoxy-5-methylbenzoate
CID 145414016
1,2,3,4-tetrachloro-5-methoxybenzene
CID 13649
4-cyano-3-methoxy-5-methylbenzoyl chloride
CID 171027009
2-chloro-5-iodo-3-methoxybenzoyl chloride
CID 171002829
1-(3-chloro-4-iodo-5-methoxyphenyl)ethanone
CID 171002773
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
(3,4-dichloro-5-methoxyphenyl)boronic acid
CID 163201370

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-methoxybenzoyl chloride?
The IUPAC name of 3,4-dichloro-5-methoxybenzoyl chloride (CID 21483940) is 3,4-dichloro-5-methoxybenzoyl chloride.
What is the SMILES notation for 3,4-dichloro-5-methoxybenzoyl chloride?
The canonical SMILES for 3,4-dichloro-5-methoxybenzoyl chloride is COc1cc(C(=O)Cl)cc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-methoxybenzoyl chloride?
The InChIKey is FWNPCROQQMWXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3O2/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3H,1H3.
What are the key properties of 3,4-dichloro-5-methoxybenzoyl chloride?
3,4-dichloro-5-methoxybenzoyl chloride has a molecular weight of 239.48 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-methoxybenzoyl chloride is sourced from PubChem (CID 21483940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).