[(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate

C12H14O4 — CID 10922089

IUPAC[(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate
SMILESO=CO[C@@H](C=O)CCOCc1ccccc1
InChIInChI=1S/C12H14O4/c13-8-12(16-10-14)6-7-15-9-11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2/t12-/m1/s1
InChIKeyMSYIYPQJPJDDMU-GFCCVEGCSA-N
MW222.24 g/mol
LogP1.33
Rot. Bonds8

About [(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate

[(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate (PubChem CID 10922089) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is [(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate.

Molecular Properties

Compound Name[(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate
PubChem CID10922089
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name[(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate
SMILESO=CO[C@@H](C=O)CCOCc1ccccc1
InChIInChI=1S/C12H14O4/c13-8-12(16-10-14)6-7-15-9-11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2/t12-/m1/s1
InChIKeyMSYIYPQJPJDDMU-GFCCVEGCSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-phenylmethoxybutanal
CID 130035859
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
CID 129405204
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
4-(2-phenylmethoxyethyl)hex-5-enal
CID 139530154
(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal
CID 11780450
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(2R)-2-methanimidoyl-4-phenylmethoxybutanoic acid
CID 174455696
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
2-(3-phenylmethoxypropoxy)acetaldehyde
CID 135080827

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate?
The IUPAC name of [(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate (CID 10922089) is [(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate.
What is the SMILES notation for [(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate?
The canonical SMILES for [(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate is O=CO[C@@H](C=O)CCOCc1ccccc1.
What is the InChIKey of [(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate?
The InChIKey is MSYIYPQJPJDDMU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14O4/c13-8-12(16-10-14)6-7-15-9-11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2/t12-/m1/s1.
What are the key properties of [(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate?
[(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate has a molecular weight of 222.24 g/mol, XLogP of 1.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate is sourced from PubChem (CID 10922089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).