(2R)-2-(2-phenylmethoxyphenyl)propanoic acid

C16H16O3 — CID 129363475

IUPAC(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C16H16O3/c1-12(16(17)18)14-9-5-6-10-15(14)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyXZPXZZDSAQHXPI-GFCCVEGCSA-N
MW256.30 g/mol
LogP3.45
Rot. Bonds5

About (2R)-2-(2-phenylmethoxyphenyl)propanoic acid

(2R)-2-(2-phenylmethoxyphenyl)propanoic acid (PubChem CID 129363475) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R)-2-(2-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
PubChem CID129363475
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C16H16O3/c1-12(16(17)18)14-9-5-6-10-15(14)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyXZPXZZDSAQHXPI-GFCCVEGCSA-N
XLogP3.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
2-[2-[(5-fluoro-2-pyridinyl)methoxy]phenyl]propanoic acid
CID 142793839
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one
CID 59906121
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
4-hydroxy-2-oxo-4-(2-phenylmethoxyphenyl)butanoic acid
CID 46843530
methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate
CID 171251115
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17093436
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(2-phenylmethoxyphenyl)propanoic acid (CID 129363475) is (2R)-2-(2-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(2-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(2-phenylmethoxyphenyl)propanoic acid is C[C@@H](C(=O)O)c1ccccc1OCc1ccccc1.
What is the InChIKey of (2R)-2-(2-phenylmethoxyphenyl)propanoic acid?
The InChIKey is XZPXZZDSAQHXPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16O3/c1-12(16(17)18)14-9-5-6-10-15(14)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-phenylmethoxyphenyl)propanoic acid?
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 129363475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).