2-cyano-5-methoxy-4-methylbenzoyl chloride

C10H8ClNO2 — CID 171027033

IUPAC2-cyano-5-methoxy-4-methylbenzoyl chloride
SMILESCOc1cc(C(=O)Cl)c(C#N)cc1C
InChIInChI=1S/C10H8ClNO2/c1-6-3-7(5-12)8(10(11)13)4-9(6)14-2/h3-4H,1-2H3
InChIKeyYEUHIOMAPQZZJQ-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.25
Rot. Bonds2

About 2-cyano-5-methoxy-4-methylbenzoyl chloride

2-cyano-5-methoxy-4-methylbenzoyl chloride (PubChem CID 171027033) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 2-cyano-5-methoxy-4-methylbenzoyl chloride.

Molecular Properties

Compound Name2-cyano-5-methoxy-4-methylbenzoyl chloride
PubChem CID171027033
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name2-cyano-5-methoxy-4-methylbenzoyl chloride
SMILESCOc1cc(C(=O)Cl)c(C#N)cc1C
InChIInChI=1S/C10H8ClNO2/c1-6-3-7(5-12)8(10(11)13)4-9(6)14-2/h3-4H,1-2H3
InChIKeyYEUHIOMAPQZZJQ-UHFFFAOYSA-N
XLogP2.25
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.25
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

2-cyano-5-methoxy-4-nitrobenzoyl chloride
CID 171027143
2-cyano-4-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171026922
4-cyano-5-methoxy-2-methylbenzamide
CID 171031371
5-cyano-4-fluoro-2-methoxybenzoyl chloride
CID 171021975
4-bromo-5-methoxy-2-methylbenzoyl chloride
CID 171004599
2,5-dimethoxy-4-methylbenzoyl cyanide
CID 116918983
3-cyano-2-methoxy-5-methylbenzoyl chloride
CID 171026795
4-cyano-3-methoxy-5-methylbenzoyl chloride
CID 171027009
2-bromo-5-methoxy-4-methylbenzonitrile
CID 117324664
4-cyano-3-methoxybenzoyl chloride
CID 45081742
4-cyano-2-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171026906
5-bromo-4-methoxy-2-methylbenzoyl chloride
CID 156551908

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-methoxy-4-methylbenzoyl chloride?
The IUPAC name of 2-cyano-5-methoxy-4-methylbenzoyl chloride (CID 171027033) is 2-cyano-5-methoxy-4-methylbenzoyl chloride.
What is the SMILES notation for 2-cyano-5-methoxy-4-methylbenzoyl chloride?
The canonical SMILES for 2-cyano-5-methoxy-4-methylbenzoyl chloride is COc1cc(C(=O)Cl)c(C#N)cc1C.
What is the InChIKey of 2-cyano-5-methoxy-4-methylbenzoyl chloride?
The InChIKey is YEUHIOMAPQZZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6-3-7(5-12)8(10(11)13)4-9(6)14-2/h3-4H,1-2H3.
What are the key properties of 2-cyano-5-methoxy-4-methylbenzoyl chloride?
2-cyano-5-methoxy-4-methylbenzoyl chloride has a molecular weight of 209.63 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-methoxy-4-methylbenzoyl chloride is sourced from PubChem (CID 171027033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).