4-(2-hydroxyacetyl)benzoyl chloride

C9H7ClO3 — CID 89280551

IUPAC4-(2-hydroxyacetyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(C(=O)CO)cc1
InChIInChI=1S/C9H7ClO3/c10-9(13)7-3-1-6(2-4-7)8(12)5-11/h1-4,11H,5H2
InChIKeyFGXIGGMEIRFSCT-UHFFFAOYSA-N
MW198.60 g/mol
LogP1.24
Rot. Bonds3

About 4-(2-hydroxyacetyl)benzoyl chloride

4-(2-hydroxyacetyl)benzoyl chloride (PubChem CID 89280551) has the molecular formula C9H7ClO3 and a molecular weight of 198.60 g/mol. Its IUPAC name is 4-(2-hydroxyacetyl)benzoyl chloride.

Molecular Properties

Compound Name4-(2-hydroxyacetyl)benzoyl chloride
PubChem CID89280551
Molecular FormulaC9H7ClO3
Molecular Weight198.60 g/mol
Exact Mass198.01
IUPAC Name4-(2-hydroxyacetyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(C(=O)CO)cc1
InChIInChI=1S/C9H7ClO3/c10-9(13)7-3-1-6(2-4-7)8(12)5-11/h1-4,11H,5H2
InChIKeyFGXIGGMEIRFSCT-UHFFFAOYSA-N
XLogP1.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.60
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromoacetyl)benzoyl chloride
CID 57372356
1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone
CID 58149469
1-(4-aminophenyl)-2-hydroxyethanone
CID 19755805
benzene;2-hydroxy-1-phenylethanone
CID 174663024
azane;2-hydroxy-1-phenylethanone
CID 161228887
[4-(2-hydroxyacetyl)phenyl]boronic acid
CID 67818650
1-[4-(4-bromophenyl)phenyl]-2-hydroxyethanone
CID 123191704
benzoyl chloride;hydrazine
CID 19933227
4-carbonochloridoylbenzenecarbothioic S-acid
CID 11112864
4-methylbenzoyl chloride
CID 13405
CID 11070855
CID 11070855
(4-carbonochloridoylphenyl)methyl-trimethylazanium
CID 59290041

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyacetyl)benzoyl chloride?
The IUPAC name of 4-(2-hydroxyacetyl)benzoyl chloride (CID 89280551) is 4-(2-hydroxyacetyl)benzoyl chloride.
What is the SMILES notation for 4-(2-hydroxyacetyl)benzoyl chloride?
The canonical SMILES for 4-(2-hydroxyacetyl)benzoyl chloride is O=C(Cl)c1ccc(C(=O)CO)cc1.
What is the InChIKey of 4-(2-hydroxyacetyl)benzoyl chloride?
The InChIKey is FGXIGGMEIRFSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO3/c10-9(13)7-3-1-6(2-4-7)8(12)5-11/h1-4,11H,5H2.
What are the key properties of 4-(2-hydroxyacetyl)benzoyl chloride?
4-(2-hydroxyacetyl)benzoyl chloride has a molecular weight of 198.60 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyacetyl)benzoyl chloride is sourced from PubChem (CID 89280551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).