[chloro(phenyl)methyl] 2-hydroxypropanoate

C10H11ClO3 — CID 69060482

IUPAC[chloro(phenyl)methyl] 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(Cl)c1ccccc1
InChIInChI=1S/C10H11ClO3/c1-7(12)10(13)14-9(11)8-5-3-2-4-6-8/h2-7,9,12H,1H3
InChIKeyKAXYEUWPTIXIRQ-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.85
Rot. Bonds3

About [chloro(phenyl)methyl] 2-hydroxypropanoate

[chloro(phenyl)methyl] 2-hydroxypropanoate (PubChem CID 69060482) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is [chloro(phenyl)methyl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[chloro(phenyl)methyl] 2-hydroxypropanoate
PubChem CID69060482
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name[chloro(phenyl)methyl] 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(Cl)c1ccccc1
InChIInChI=1S/C10H11ClO3/c1-7(12)10(13)14-9(11)8-5-3-2-4-6-8/h2-7,9,12H,1H3
InChIKeyKAXYEUWPTIXIRQ-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.85
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

[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate
CID 11962000
[chloro(phenyl)methyl] 3-methylbutanoate
CID 172567471
benzhydryl (2R)-2-chloropropanoate
CID 14524946
[chloro(phenyl)methyl] 2-(2-aminoethyl)-3-methylbut-2-enoate
CID 69273162
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
[chloro(phenyl)methyl] 4-(1-acetyloxyethyl)benzoate
CID 139687609
(3-methyl-2-phenylbutanoyl) 3-methyl-2-phenylbutaneperoxoate
CID 18381033
benzhydryl 2,2-dichloroacetate
CID 102144827
methyl 3-chloro-2-hydroxy-3-phenylpropanoate
CID 20606306
methyl 2-chloro-3-phenylbutanoate
CID 62225465
1-chloroethyl 1-phenylethyl carbonate
CID 119090813
[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 126705764

Frequently Asked Questions

What is the IUPAC name of [chloro(phenyl)methyl] 2-hydroxypropanoate?
The IUPAC name of [chloro(phenyl)methyl] 2-hydroxypropanoate (CID 69060482) is [chloro(phenyl)methyl] 2-hydroxypropanoate.
What is the SMILES notation for [chloro(phenyl)methyl] 2-hydroxypropanoate?
The canonical SMILES for [chloro(phenyl)methyl] 2-hydroxypropanoate is CC(O)C(=O)OC(Cl)c1ccccc1.
What is the InChIKey of [chloro(phenyl)methyl] 2-hydroxypropanoate?
The InChIKey is KAXYEUWPTIXIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-7(12)10(13)14-9(11)8-5-3-2-4-6-8/h2-7,9,12H,1H3.
What are the key properties of [chloro(phenyl)methyl] 2-hydroxypropanoate?
[chloro(phenyl)methyl] 2-hydroxypropanoate has a molecular weight of 214.65 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenyl)methyl] 2-hydroxypropanoate is sourced from PubChem (CID 69060482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).