benzyl 3-hydroxy-3-phenylpropanoate

C16H16O3 — CID 15466820

IUPACbenzyl 3-hydroxy-3-phenylpropanoate
SMILESO=C(CC(O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H16O3/c17-15(14-9-5-2-6-10-14)11-16(18)19-12-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2
InChIKeyBQRJXEZVPKQHMZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.85
Rot. Bonds5

About benzyl 3-hydroxy-3-phenylpropanoate

benzyl 3-hydroxy-3-phenylpropanoate (PubChem CID 15466820) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is benzyl 3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Namebenzyl 3-hydroxy-3-phenylpropanoate
PubChem CID15466820
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namebenzyl 3-hydroxy-3-phenylpropanoate
SMILESO=C(CC(O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H16O3/c17-15(14-9-5-2-6-10-14)11-16(18)19-12-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2
InChIKeyBQRJXEZVPKQHMZ-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dibenzyl 3-hydroxypentanedioate
CID 23067924
benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate
CID 2250347
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
benzyl 3-hydroxybutanoate
CID 562226
(3-oxo-1-phenyl-3-phenylmethoxypropyl)boronic acid
CID 53255334
benzyl 4-amino-3,4-diphenylbutanoate
CID 15355049
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
benzyl (3S)-3-hydroxypentanoate
CID 131888436
benzyl (3S)-4-bromo-3-hydroxybutanoate
CID 141383144
benzyl (3S)-3-hydroxy-4-iodobutanoate
CID 141383143
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
[(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride
CID 11257534

Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxy-3-phenylpropanoate?
The IUPAC name of benzyl 3-hydroxy-3-phenylpropanoate (CID 15466820) is benzyl 3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for benzyl 3-hydroxy-3-phenylpropanoate?
The canonical SMILES for benzyl 3-hydroxy-3-phenylpropanoate is O=C(CC(O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 3-hydroxy-3-phenylpropanoate?
The InChIKey is BQRJXEZVPKQHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-15(14-9-5-2-6-10-14)11-16(18)19-12-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2.
What are the key properties of benzyl 3-hydroxy-3-phenylpropanoate?
benzyl 3-hydroxy-3-phenylpropanoate has a molecular weight of 256.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 15466820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).