(1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate

C30H30O5S — CID 86650226

IUPAC(1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate
SMILESCS(=O)(=O)OC(COCc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O5S/c1-36(31,32)35-29(23-33-22-25-14-6-2-7-15-25)24-34-30(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,29H,22-24H2,1H3
InChIKeyZJXRVQFLHOVXIN-UHFFFAOYSA-N
MW502.63 g/mol
LogP5.56
Rot. Bonds12

About (1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate

(1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate (PubChem CID 86650226) has the molecular formula C30H30O5S and a molecular weight of 502.63 g/mol. Its IUPAC name is (1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate.

Molecular Properties

Compound Name(1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate
PubChem CID86650226
Molecular FormulaC30H30O5S
Molecular Weight502.63 g/mol
Exact Mass502.18
IUPAC Name(1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate
SMILESCS(=O)(=O)OC(COCc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O5S/c1-36(31,32)35-29(23-33-22-25-14-6-2-7-15-25)24-34-30(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,29H,22-24H2,1H3
InChIKeyZJXRVQFLHOVXIN-UHFFFAOYSA-N
XLogP5.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.63
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate 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)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
[(2R)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropoxy]-3-phenylmethoxypropan-2-yl] methanesulfonate
CID 11466597
(1-oxo-3-phenylmethoxypropan-2-yl) methanesulfonate
CID 174250486
[1-(2-phenylmethoxyhexadecoxy)-3-trityloxypropan-2-yl] 4-methylbenzenesulfonate
CID 23238761
2-phenylmethoxy-3-trityloxypropan-1-olate
CID 140661134
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
[(2R)-5-(2-benzhydrylidenehydrazinyl)-5-oxo-1-phenylmethoxypentan-2-yl] methanesulfonate
CID 87799611
(2,3,3-trifluoro-3-methylsulfonylpropoxy)methylbenzene
CID 129057985
[(2R,3R,4S)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl] methanesulfonate
CID 102509147
(3S)-3,4-bis(phenylmethoxy)-1-trityloxybutan-2-one
CID 10578419
[(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypent-1-en-3-yl] methanesulfonate
CID 134871262
[(2R,3R,4R)-5,5-bis(ethylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-yl] methanesulfonate
CID 71500094

Frequently Asked Questions

What is the IUPAC name of (1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate?
The IUPAC name of (1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate (CID 86650226) is (1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate.
What is the SMILES notation for (1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate?
The canonical SMILES for (1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate is CS(=O)(=O)OC(COCc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate?
The InChIKey is ZJXRVQFLHOVXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O5S/c1-36(31,32)35-29(23-33-22-25-14-6-2-7-15-25)24-34-30(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,29H,22-24H2,1H3.
What are the key properties of (1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate?
(1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate has a molecular weight of 502.63 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate is sourced from PubChem (CID 86650226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).