(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid

C16H16O5 — CID 15011210

IUPAC(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
SMILESCOc1ccc([C@@H](O)[C@@H](Oc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C16H16O5/c1-20-12-9-7-11(8-10-12)14(17)15(16(18)19)21-13-5-3-2-4-6-13/h2-10,14-15,17H,1H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyJWGQQHGQOOJZAE-HUUCEWRRSA-N
MW288.30 g/mol
LogP2.26
Rot. Bonds6

About (2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid

(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid (PubChem CID 15011210) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
PubChem CID15011210
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
SMILESCOc1ccc([C@@H](O)[C@@H](Oc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C16H16O5/c1-20-12-9-7-11(8-10-12)14(17)15(16(18)19)21-13-5-3-2-4-6-13/h2-10,14-15,17H,1H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyJWGQQHGQOOJZAE-HUUCEWRRSA-N
XLogP2.26
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 140981337
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
anisole;1-phenoxyethanol
CID 143208941
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
(2R,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563621
(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563622
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
anisole;2-sulfanylpropanoic acid
CID 88749796
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid?
The IUPAC name of (2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid (CID 15011210) is (2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid.
What is the SMILES notation for (2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid?
The canonical SMILES for (2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid is COc1ccc([C@@H](O)[C@@H](Oc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid?
The InChIKey is JWGQQHGQOOJZAE-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H16O5/c1-20-12-9-7-11(8-10-12)14(17)15(16(18)19)21-13-5-3-2-4-6-13/h2-10,14-15,17H,1H3,(H,18,19)/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid?
(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid is sourced from PubChem (CID 15011210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).