benzyl (2S)-2-hydroxy-3-phenylpropanoate

C16H16O3 — CID 10377698

IUPACbenzyl (2S)-2-hydroxy-3-phenylpropanoate
SMILESO=C(OCc1ccccc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H16O3/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/t15-/m0/s1
InChIKeyXFULYMQQCZRWQB-HNNXBMFYSA-N
MW256.30 g/mol
LogP2.33
Rot. Bonds5

About benzyl (2S)-2-hydroxy-3-phenylpropanoate

benzyl (2S)-2-hydroxy-3-phenylpropanoate (PubChem CID 10377698) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is benzyl (2S)-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-hydroxy-3-phenylpropanoate
PubChem CID10377698
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namebenzyl (2S)-2-hydroxy-3-phenylpropanoate
SMILESO=C(OCc1ccccc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H16O3/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/t15-/m0/s1
InChIKeyXFULYMQQCZRWQB-HNNXBMFYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-hydroxy-3-phenylpropanoate?
The IUPAC name of benzyl (2S)-2-hydroxy-3-phenylpropanoate (CID 10377698) is benzyl (2S)-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for benzyl (2S)-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for benzyl (2S)-2-hydroxy-3-phenylpropanoate is O=C(OCc1ccccc1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of benzyl (2S)-2-hydroxy-3-phenylpropanoate?
The InChIKey is XFULYMQQCZRWQB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16O3/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/t15-/m0/s1.
What are the key properties of benzyl (2S)-2-hydroxy-3-phenylpropanoate?
benzyl (2S)-2-hydroxy-3-phenylpropanoate has a molecular weight of 256.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 10377698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).