(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid

C16H16O4 — CID 131871320

IUPAC(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
SMILESC[C@@](O)(C(=O)O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H16O4/c1-16(19,15(17)18)13-7-9-14(10-8-13)20-11-12-5-3-2-4-6-12/h2-10,19H,11H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyISBKMZBFADWIOL-INIZCTEOSA-N
MW272.30 g/mol
LogP2.56
Rot. Bonds5

About (2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid

(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 131871320) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID131871320
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
SMILESC[C@@](O)(C(=O)O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H16O4/c1-16(19,15(17)18)13-7-9-14(10-8-13)20-11-12-5-3-2-4-6-12/h2-10,19H,11H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyISBKMZBFADWIOL-INIZCTEOSA-N
XLogP2.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetamide
CID 139613624
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
(2S)-2,3-dimethyl-3-(4-phenylmethoxyphenyl)-2-silyloxybutanoic acid
CID 173241831
(2R)-2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 70114787
2-methyl-2-(4-phenylmethoxyphenyl)pent-4-enoic acid
CID 21347999
4-phenylmethoxybenzoic acid
CID 68896574
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene
CID 146167604
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid (CID 131871320) is (2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid is C[C@@](O)(C(=O)O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is ISBKMZBFADWIOL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16O4/c1-16(19,15(17)18)13-7-9-14(10-8-13)20-11-12-5-3-2-4-6-12/h2-10,19H,11H2,1H3,(H,17,18)/t16-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid?
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 131871320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).