[(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate

C18H20O4 — CID 102413965

IUPAC[(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate
SMILESCC(=O)OC[C@@](CO)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O4/c1-15(20)21-14-18(13-19,17-10-6-3-7-11-17)22-12-16-8-4-2-5-9-16/h2-11,19H,12-14H2,1H3/t18-/m1/s1
InChIKeyOPTDHKXYHBCYJW-GOSISDBHSA-N
MW300.35 g/mol
LogP2.65
Rot. Bonds7

About [(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate

[(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate (PubChem CID 102413965) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is [(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate.

Molecular Properties

Compound Name[(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate
PubChem CID102413965
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name[(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate
SMILESCC(=O)OC[C@@](CO)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O4/c1-15(20)21-14-18(13-19,17-10-6-3-7-11-17)22-12-16-8-4-2-5-9-16/h2-11,19H,12-14H2,1H3/t18-/m1/s1
InChIKeyOPTDHKXYHBCYJW-GOSISDBHSA-N
XLogP2.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl acetate
CID 8785
[(2R)-2-benzyl-3-hydroxy-2-methylpropyl] acetate
CID 101384637
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl acetate;formonitrile
CID 175329925
aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
benzyl acetate;carbon monoxide;chromium
CID 11196913
[2-(acetyloxymethyl)-2-fluoro-4-phenylmethoxybutyl] acetate
CID 54119592
[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate
CID 141073730
(4-acetyloxy-2-fluoro-2-methyl-4-phenylmethoxybutyl) acetate
CID 67779035
benzyl acetate;benzyl benzoate
CID 158805672
benzyl acetate;dodecane
CID 138609592

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate?
The IUPAC name of [(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate (CID 102413965) is [(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate.
What is the SMILES notation for [(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate?
The canonical SMILES for [(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate is CC(=O)OC[C@@](CO)(OCc1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate?
The InChIKey is OPTDHKXYHBCYJW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20O4/c1-15(20)21-14-18(13-19,17-10-6-3-7-11-17)22-12-16-8-4-2-5-9-16/h2-11,19H,12-14H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate?
[(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate has a molecular weight of 300.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate is sourced from PubChem (CID 102413965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).