(2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate

C13H16O7 — CID 163450025

IUPAC(2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate
SMILESO=COCC(O)C(=O)OCC(O)COc1ccccc1
InChIInChI=1S/C13H16O7/c14-9-18-8-12(16)13(17)20-7-10(15)6-19-11-4-2-1-3-5-11/h1-5,9-10,12,15-16H,6-8H2
InChIKeyBFUWAHFRNUNURO-UHFFFAOYSA-N
MW284.26 g/mol
LogP-0.50
Rot. Bonds9

About (2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate

(2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate (PubChem CID 163450025) has the molecular formula C13H16O7 and a molecular weight of 284.26 g/mol. Its IUPAC name is (2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate.

Molecular Properties

Compound Name(2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate
PubChem CID163450025
Molecular FormulaC13H16O7
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name(2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate
SMILESO=COCC(O)C(=O)OCC(O)COc1ccccc1
InChIInChI=1S/C13H16O7/c14-9-18-8-12(16)13(17)20-7-10(15)6-19-11-4-2-1-3-5-11/h1-5,9-10,12,15-16H,6-8H2
InChIKeyBFUWAHFRNUNURO-UHFFFAOYSA-N
XLogP-0.50
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate 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-hydroxy-3-phenoxypropyl) methylphosphanylformate
CID 59790512
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
[(2S)-2-hydroxy-3-phenoxypropyl] butanoate
CID 102180796
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
(2-hydroxy-3-phenoxypropyl) 2-methylidenebutanoate
CID 149436973
(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
CID 59866995
[3-(3-bromophenoxy)-2-hydroxypropyl] formate
CID 89316807
(2-hydroxy-3-phenoxypropyl) 3,5-dibromo-4-hydroxybenzoate
CID 59017835
[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
CID 165353807
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
CID 23569597
3-phenoxypropane-1,2-diol
CID 158587241

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate?
The IUPAC name of (2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate (CID 163450025) is (2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate.
What is the SMILES notation for (2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate?
The canonical SMILES for (2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate is O=COCC(O)C(=O)OCC(O)COc1ccccc1.
What is the InChIKey of (2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate?
The InChIKey is BFUWAHFRNUNURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O7/c14-9-18-8-12(16)13(17)20-7-10(15)6-19-11-4-2-1-3-5-11/h1-5,9-10,12,15-16H,6-8H2.
What are the key properties of (2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate?
(2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate has a molecular weight of 284.26 g/mol, XLogP of -0.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate is sourced from PubChem (CID 163450025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).