benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate

C16H16O4 — CID 86346378

IUPACbenzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate
SMILESO=C(OCc1ccccc1)[C@H](O)Cc1ccc(O)cc1
InChIInChI=1S/C16H16O4/c17-14-8-6-12(7-9-14)10-15(18)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2/t15-/m1/s1
InChIKeyHRGJABYNBLLMIT-OAHLLOKOSA-N
MW272.30 g/mol
LogP2.04
Rot. Bonds5

About benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate

benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate (PubChem CID 86346378) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate
PubChem CID86346378
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namebenzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate
SMILESO=C(OCc1ccccc1)[C@H](O)Cc1ccc(O)cc1
InChIInChI=1S/C16H16O4/c17-14-8-6-12(7-9-14)10-15(18)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2/t15-/m1/s1
InChIKeyHRGJABYNBLLMIT-OAHLLOKOSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium
CID 4052014
benzyl 2-hydroxy-3-(4-piperidin-1-ylphenyl)propanoate
CID 57026029
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate
CID 23238101
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
CID 121320325
benzyl (2S)-4-amino-2-hydroxy-4-oxobutanoate
CID 10922133
benzyl (2R)-4-amino-2-hydroxy-4-oxobutanoate
CID 11770072
benzyl 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 13169996
benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate
CID 54541379
3-hydroxy-4-oxo-4-phenylmethoxybutanoate
CID 19803271
benzyl (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 91977223
benzyl 2,2-bis(4-hydroxyphenyl)acetate;phenol
CID 160633420

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate (CID 86346378) is benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate is O=C(OCc1ccccc1)[C@H](O)Cc1ccc(O)cc1.
What is the InChIKey of benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate?
The InChIKey is HRGJABYNBLLMIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16O4/c17-14-8-6-12(7-9-14)10-15(18)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2/t15-/m1/s1.
What are the key properties of benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate?
benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate has a molecular weight of 272.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 86346378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).