[4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate

C29H32O5 — CID 123834968

IUPAC[4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate
SMILESCCCC1(OC(=O)c2ccccc2)COC(COCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H32O5/c1-2-18-29(34-28(30)25-16-10-5-11-17-25)22-33-26(21-31-19-23-12-6-3-7-13-23)27(29)32-20-24-14-8-4-9-15-24/h3-17,26-27H,2,18-22H2,1H3
InChIKeyUSUHTCIFAAEUPZ-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.58
Rot. Bonds11

About [4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate

[4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate (PubChem CID 123834968) has the molecular formula C29H32O5 and a molecular weight of 460.57 g/mol. Its IUPAC name is [4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate.

Molecular Properties

Compound Name[4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate
PubChem CID123834968
Molecular FormulaC29H32O5
Molecular Weight460.57 g/mol
Exact Mass460.22
IUPAC Name[4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate
SMILESCCCC1(OC(=O)c2ccccc2)COC(COCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H32O5/c1-2-18-29(34-28(30)25-16-10-5-11-17-25)22-33-26(21-31-19-23-12-6-3-7-13-23)27(29)32-20-24-14-8-4-9-15-24/h3-17,26-27H,2,18-22H2,1H3
InChIKeyUSUHTCIFAAEUPZ-UHFFFAOYSA-N
XLogP5.58
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] 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

[(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate
CID 102327408
[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101201663
1-phenyl-2-[(2S,4R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanone
CID 164669346
tert-butyl 4-[(2S,3S,4S,5R,6R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]benzoate
CID 122218947
[(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
CID 175638975
[(3S,4R,5R)-4-[(4-methoxyphenyl)methoxy]-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate
CID 10718315
[(2R,3S,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] benzoate
CID 16748763
[(2S,3R,4S,5R,6R)-2,5-dihydroxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl] benzoate
CID 102191021
[(2R,3S,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate
CID 71313933
[(2R,3S,4R,5R)-2-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] 4-methylbenzoate
CID 171123801
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
[(2R,3R,4S,5S,6R)-5-hydroxy-2-octoxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl] benzoate
CID 101468827

Frequently Asked Questions

What is the IUPAC name of [4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate?
The IUPAC name of [4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate (CID 123834968) is [4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate.
What is the SMILES notation for [4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate?
The canonical SMILES for [4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate is CCCC1(OC(=O)c2ccccc2)COC(COCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of [4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate?
The InChIKey is USUHTCIFAAEUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O5/c1-2-18-29(34-28(30)25-16-10-5-11-17-25)22-33-26(21-31-19-23-12-6-3-7-13-23)27(29)32-20-24-14-8-4-9-15-24/h3-17,26-27H,2,18-22H2,1H3.
What are the key properties of [4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate?
[4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate has a molecular weight of 460.57 g/mol, XLogP of 5.58, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate is sourced from PubChem (CID 123834968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).