(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid

C16H16O4 — CID 1490295

IUPAC(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
SMILESC[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H16O4/c1-12(16(17)18)20-15-9-7-14(8-10-15)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyATPBADOREFXKFS-LBPRGKRZSA-N
MW272.30 g/mol
LogP3.12
Rot. Bonds6

About (2S)-2-(4-phenylmethoxyphenoxy)propanoic acid

(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid (PubChem CID 1490295) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-(4-phenylmethoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
PubChem CID1490295
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
SMILESC[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H16O4/c1-12(16(17)18)20-15-9-7-14(8-10-15)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyATPBADOREFXKFS-LBPRGKRZSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide
CID 6821492
2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
CID 126650060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-phenylmethoxyphenoxy)propanoic acid?
The IUPAC name of (2S)-2-(4-phenylmethoxyphenoxy)propanoic acid (CID 1490295) is (2S)-2-(4-phenylmethoxyphenoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(4-phenylmethoxyphenoxy)propanoic acid?
The canonical SMILES for (2S)-2-(4-phenylmethoxyphenoxy)propanoic acid is C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-(4-phenylmethoxyphenoxy)propanoic acid?
The InChIKey is ATPBADOREFXKFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16O4/c1-12(16(17)18)20-15-9-7-14(8-10-15)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-phenylmethoxyphenoxy)propanoic acid?
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-phenylmethoxyphenoxy)propanoic acid is sourced from PubChem (CID 1490295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).