(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid

C16H16O3 — CID 150376143

IUPAC(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid
SMILESO=C(O)[C@H](O)Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c17-15(16(18)19)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H,18,19)/t15-/m1/s1
InChIKeyGYSVYSYSSYNFOW-OAHLLOKOSA-N
MW256.30 g/mol
LogP2.27
Rot. Bonds5

About (2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid

(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid (PubChem CID 150376143) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid
PubChem CID150376143
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid
SMILESO=C(O)[C@H](O)Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c17-15(16(18)19)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H,18,19)/t15-/m1/s1
InChIKeyGYSVYSYSSYNFOW-OAHLLOKOSA-N
XLogP2.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid
CID 69118596
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
CID 121320325
(2S)-2-hydroxy-3-phenylpropanethioic S-acid
CID 21114760
(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 39241972
2-hydroxy-4-methyl-1-phenylpentan-3-one;2-methylpropanoic acid
CID 174968865
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
3-[4-[3-[4-(2-carboxy-2-hydroxyethyl)phenoxy]propoxy]phenyl]-2-hydroxypropanoic acid
CID 141111710
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
CID 123932531
2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid?
The IUPAC name of (2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid (CID 150376143) is (2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid is O=C(O)[C@H](O)Cc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid?
The InChIKey is GYSVYSYSSYNFOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16O3/c17-15(16(18)19)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid?
(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid has a molecular weight of 256.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 150376143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).