(2R)-2-phenylmethoxypropanoic acid

C10H12O3 — CID 7000104

IUPAC(2R)-2-phenylmethoxypropanoic acid
SMILESC[C@@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C10H12O3/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyXWAVPOFYNPXXEL-MRVPVSSYSA-N
MW180.20 g/mol
LogP1.68
Rot. Bonds4

About (2R)-2-phenylmethoxypropanoic acid

(2R)-2-phenylmethoxypropanoic acid (PubChem CID 7000104) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R)-2-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-phenylmethoxypropanoic acid
PubChem CID7000104
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2R)-2-phenylmethoxypropanoic acid
SMILESC[C@@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C10H12O3/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyXWAVPOFYNPXXEL-MRVPVSSYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenylmethoxypropanoic acid?
The IUPAC name of (2R)-2-phenylmethoxypropanoic acid (CID 7000104) is (2R)-2-phenylmethoxypropanoic acid.
What is the SMILES notation for (2R)-2-phenylmethoxypropanoic acid?
The canonical SMILES for (2R)-2-phenylmethoxypropanoic acid is C[C@@H](OCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-phenylmethoxypropanoic acid?
The InChIKey is XWAVPOFYNPXXEL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12O3/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-phenylmethoxypropanoic acid?
(2R)-2-phenylmethoxypropanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenylmethoxypropanoic acid is sourced from PubChem (CID 7000104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).