[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene

C36H36O4 — CID 11082024

IUPAC[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene
SMILESC#C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1
InChIInChI=1S/C36H36O4/c1-3-33(37-25-29-17-9-5-10-18-29)35(39-27-31-21-13-7-14-22-31)36(40-28-32-23-15-8-16-24-32)34(4-2)38-26-30-19-11-6-12-20-30/h1,4-24,33-36H,2,25-28H2/t33-,34+,35+,36+/m0/s1
InChIKeyAGQHWEURVVEBKK-NJMTUYGZSA-N
MW532.68 g/mol
LogP7.15
Rot. Bonds16

About [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene

[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene (PubChem CID 11082024) has the molecular formula C36H36O4 and a molecular weight of 532.68 g/mol. Its IUPAC name is [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene.

Molecular Properties

Compound Name[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene
PubChem CID11082024
Molecular FormulaC36H36O4
Molecular Weight532.68 g/mol
Exact Mass532.26
IUPAC Name[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene
SMILESC#C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1
InChIInChI=1S/C36H36O4/c1-3-33(37-25-29-17-9-5-10-18-29)35(39-27-31-21-13-7-14-22-31)36(40-28-32-23-15-8-16-24-32)34(4-2)38-26-30-19-11-6-12-20-30/h1,4-24,33-36H,2,25-28H2/t33-,34+,35+,36+/m0/s1
InChIKeyAGQHWEURVVEBKK-NJMTUYGZSA-N
XLogP7.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene 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

[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane
CID 59435867
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
(3R,4S,5S,6S)-4,5,6-tris(phenylmethoxy)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102210980
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492
(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine
CID 46915682
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene?
The IUPAC name of [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene (CID 11082024) is [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene.
What is the SMILES notation for [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene?
The canonical SMILES for [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene is C#C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1.
What is the InChIKey of [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene?
The InChIKey is AGQHWEURVVEBKK-NJMTUYGZSA-N. The full InChI is InChI=1S/C36H36O4/c1-3-33(37-25-29-17-9-5-10-18-29)35(39-27-31-21-13-7-14-22-31)36(40-28-32-23-15-8-16-24-32)34(4-2)38-26-30-19-11-6-12-20-30/h1,4-24,33-36H,2,25-28H2/t33-,34+,35+,36+/m0/s1.
What are the key properties of [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene?
[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene has a molecular weight of 532.68 g/mol, XLogP of 7.15, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene is sourced from PubChem (CID 11082024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).