chloromethyl 2-hydroxy-2-phenylacetate

C9H9ClO3 — CID 123324758

IUPACchloromethyl 2-hydroxy-2-phenylacetate
SMILESO=C(OCCl)C(O)c1ccccc1
InChIInChI=1S/C9H9ClO3/c10-6-13-9(12)8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2
InChIKeyYYTAULGQCSXNRW-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.46
Rot. Bonds3

About chloromethyl 2-hydroxy-2-phenylacetate

chloromethyl 2-hydroxy-2-phenylacetate (PubChem CID 123324758) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is chloromethyl 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namechloromethyl 2-hydroxy-2-phenylacetate
PubChem CID123324758
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Namechloromethyl 2-hydroxy-2-phenylacetate
SMILESO=C(OCCl)C(O)c1ccccc1
InChIInChI=1S/C9H9ClO3/c10-6-13-9(12)8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2
InChIKeyYYTAULGQCSXNRW-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-hydroxy-2-phenylacetate
CID 90673198
(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate
CID 175069063
bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
CID 140596039
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
[2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834182

Frequently Asked Questions

What is the IUPAC name of chloromethyl 2-hydroxy-2-phenylacetate?
The IUPAC name of chloromethyl 2-hydroxy-2-phenylacetate (CID 123324758) is chloromethyl 2-hydroxy-2-phenylacetate.
What is the SMILES notation for chloromethyl 2-hydroxy-2-phenylacetate?
The canonical SMILES for chloromethyl 2-hydroxy-2-phenylacetate is O=C(OCCl)C(O)c1ccccc1.
What is the InChIKey of chloromethyl 2-hydroxy-2-phenylacetate?
The InChIKey is YYTAULGQCSXNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-6-13-9(12)8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2.
What are the key properties of chloromethyl 2-hydroxy-2-phenylacetate?
chloromethyl 2-hydroxy-2-phenylacetate has a molecular weight of 200.62 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 123324758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).