(2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate

C16H16O4 — CID 91438959

IUPAC(2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate
SMILESO=C(OC(CO)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H16O4/c17-11-14(12-7-3-1-4-8-12)20-16(19)15(18)13-9-5-2-6-10-13/h1-10,14-15,17-18H,11H2
InChIKeyRWUSNCSPYJVBJR-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.00
Rot. Bonds5

About (2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate

(2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate (PubChem CID 91438959) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name(2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate
PubChem CID91438959
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate
SMILESO=C(OC(CO)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H16O4/c17-11-14(12-7-3-1-4-8-12)20-16(19)15(18)13-9-5-2-6-10-13/h1-10,14-15,17-18H,11H2
InChIKeyRWUSNCSPYJVBJR-UHFFFAOYSA-N
XLogP2.00
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
CID 54256901
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
[(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate
CID 10318087
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
CID 140596039
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
CID 95562526

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate?
The IUPAC name of (2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate (CID 91438959) is (2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate.
What is the SMILES notation for (2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate?
The canonical SMILES for (2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate is O=C(OC(CO)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of (2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate?
The InChIKey is RWUSNCSPYJVBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-11-14(12-7-3-1-4-8-12)20-16(19)15(18)13-9-5-2-6-10-13/h1-10,14-15,17-18H,11H2.
What are the key properties of (2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate?
(2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate has a molecular weight of 272.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 91438959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).