(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate

C32H30O9 — CID 59866995

IUPAC(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
SMILESO=C(OCC(O)COc1ccccc1)c1ccc(Oc2ccc(C(=O)OCC(O)COc3ccccc3)cc2)cc1
InChIInChI=1S/C32H30O9/c33-25(19-37-27-7-3-1-4-8-27)21-39-31(35)23-11-15-29(16-12-23)41-30-17-13-24(14-18-30)32(36)40-22-26(34)20-38-28-9-5-2-6-10-28/h1-18,25-26,33-34H,19-22H2
InChIKeyWONMWDFSKAXAPS-UHFFFAOYSA-N
MW558.58 g/mol
LogP4.67
Rot. Bonds14

About (2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate

(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate (PubChem CID 59866995) has the molecular formula C32H30O9 and a molecular weight of 558.58 g/mol. Its IUPAC name is (2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate.

Molecular Properties

Compound Name(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
PubChem CID59866995
Molecular FormulaC32H30O9
Molecular Weight558.58 g/mol
Exact Mass558.19
IUPAC Name(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
SMILESO=C(OCC(O)COc1ccccc1)c1ccc(Oc2ccc(C(=O)OCC(O)COc3ccccc3)cc2)cc1
InChIInChI=1S/C32H30O9/c33-25(19-37-27-7-3-1-4-8-27)21-39-31(35)23-11-15-29(16-12-23)41-30-17-13-24(14-18-30)32(36)40-22-26(34)20-38-28-9-5-2-6-10-28/h1-18,25-26,33-34H,19-22H2
InChIKeyWONMWDFSKAXAPS-UHFFFAOYSA-N
XLogP4.67
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.58
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate 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) 4-tert-butylbenzoate
CID 122466220
(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
CID 23569597
(2-hydroxy-3-phenoxypropyl) 3,5-dibromo-4-hydroxybenzoate
CID 59017835
(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate
CID 11414636
2,3-dihydroxypropyl 4-phenylmethoxybenzoate
CID 71423626
(2-hydroxy-3-phenoxypropyl) methylphosphanylformate
CID 59790512
ethyl 4-[(2S)-2-hydroxybutoxy]benzoate
CID 15106108
[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
CID 165353807
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
[(2S)-2-hydroxy-3-phenoxypropyl] butanoate
CID 102180796
[(2R)-3-bromo-2-hydroxypropyl] benzoate
CID 102180802
[(2S)-3-bromo-2-hydroxypropyl] benzoate
CID 102158882

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate?
The IUPAC name of (2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate (CID 59866995) is (2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate.
What is the SMILES notation for (2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate?
The canonical SMILES for (2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate is O=C(OCC(O)COc1ccccc1)c1ccc(Oc2ccc(C(=O)OCC(O)COc3ccccc3)cc2)cc1.
What is the InChIKey of (2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate?
The InChIKey is WONMWDFSKAXAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O9/c33-25(19-37-27-7-3-1-4-8-27)21-39-31(35)23-11-15-29(16-12-23)41-30-17-13-24(14-18-30)32(36)40-22-26(34)20-38-28-9-5-2-6-10-28/h1-18,25-26,33-34H,19-22H2.
What are the key properties of (2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate?
(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate has a molecular weight of 558.58 g/mol, XLogP of 4.67, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate is sourced from PubChem (CID 59866995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).