oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate

C14H18O4 — CID 131720683

IUPACoxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
SMILESO=C(OC1CCCCO1)[C@H](O)Cc1ccccc1
InChIInChI=1S/C14H18O4/c15-12(10-11-6-2-1-3-7-11)14(16)18-13-8-4-5-9-17-13/h1-3,6-7,12-13,15H,4-5,8-10H2/t12-,13?/m1/s1
InChIKeyRFJITDWGGQQQLC-PZORYLMUSA-N
MW250.29 g/mol
LogP1.66
Rot. Bonds4

About oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate

oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate (PubChem CID 131720683) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Nameoxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
PubChem CID131720683
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameoxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
SMILESO=C(OC1CCCCO1)[C@H](O)Cc1ccccc1
InChIInChI=1S/C14H18O4/c15-12(10-11-6-2-1-3-7-11)14(16)18-13-8-4-5-9-17-13/h1-3,6-7,12-13,15H,4-5,8-10H2/t12-,13?/m1/s1
InChIKeyRFJITDWGGQQQLC-PZORYLMUSA-N
XLogP1.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate 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

cyclohexanamine;oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 172828135
bis(oxan-2-yl) 2-benzylpropanedioate
CID 14723470
methyl (2S)-2-(oxan-2-yloxy)-3-phenylpropanoate
CID 14804719
oxan-2-yl 3-phenylpropanoate
CID 10609743
oxan-2-yl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate
CID 142637584
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
2-(oxan-2-yloxy)-3-phenylpropanenitrile
CID 14767297
oxan-2-yl 2-carbazol-9-yl-2-phenylacetate
CID 20752210
ethyl (2S)-2-[(2S)-oxan-2-yl]oxy-4-phenylbutanoate
CID 139682584
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-hydroxy-3-phenyl(1,3-13C2)propanoate
CID 11087578
(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide
CID 139705725
benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate
CID 138107737

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate?
The IUPAC name of oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate (CID 131720683) is oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate is O=C(OC1CCCCO1)[C@H](O)Cc1ccccc1.
What is the InChIKey of oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate?
The InChIKey is RFJITDWGGQQQLC-PZORYLMUSA-N. The full InChI is InChI=1S/C14H18O4/c15-12(10-11-6-2-1-3-7-11)14(16)18-13-8-4-5-9-17-13/h1-3,6-7,12-13,15H,4-5,8-10H2/t12-,13?/m1/s1.
What are the key properties of oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate?
oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate has a molecular weight of 250.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 131720683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).