2-phenylmethoxy-3-trityloxypropan-1-olate

C29H27O3- — CID 140661134

IUPAC2-phenylmethoxy-3-trityloxypropan-1-olate
SMILES[O-]CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C29H27O3/c30-21-28(31-22-24-13-5-1-6-14-24)23-32-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2/q-1
InChIKeyOKTGJRLSRLZYQU-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.94
Rot. Bonds10

About 2-phenylmethoxy-3-trityloxypropan-1-olate

2-phenylmethoxy-3-trityloxypropan-1-olate (PubChem CID 140661134) has the molecular formula C29H27O3- and a molecular weight of 423.53 g/mol. Its IUPAC name is 2-phenylmethoxy-3-trityloxypropan-1-olate.

Molecular Properties

Compound Name2-phenylmethoxy-3-trityloxypropan-1-olate
PubChem CID140661134
Molecular FormulaC29H27O3-
Molecular Weight423.53 g/mol
Exact Mass423.20
IUPAC Name2-phenylmethoxy-3-trityloxypropan-1-olate
SMILES[O-]CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C29H27O3/c30-21-28(31-22-24-13-5-1-6-14-24)23-32-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2/q-1
InChIKeyOKTGJRLSRLZYQU-UHFFFAOYSA-N
XLogP4.94
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-(2-phenylmethoxy-3-trityloxypropyl)piperazine
CID 118166318
1-(2-phenylmethoxy-3-trityloxypropyl)piperazine
CID 123176506
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
(1-phenylmethoxy-3-trityloxypropan-2-yl) methanesulfonate
CID 86650226
[1-(2-phenylmethoxyhexadecoxy)-3-trityloxypropan-2-yl] 4-methylbenzenesulfonate
CID 23238761
(3S)-3,4-bis(phenylmethoxy)-1-trityloxybutan-2-one
CID 10578419
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
[[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene
CID 90294885
1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene
CID 22177536
1,3-dichloropropan-2-yloxymethylbenzene
CID 5155009
[(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene
CID 10996058
[[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene
CID 12026980

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-3-trityloxypropan-1-olate?
The IUPAC name of 2-phenylmethoxy-3-trityloxypropan-1-olate (CID 140661134) is 2-phenylmethoxy-3-trityloxypropan-1-olate.
What is the SMILES notation for 2-phenylmethoxy-3-trityloxypropan-1-olate?
The canonical SMILES for 2-phenylmethoxy-3-trityloxypropan-1-olate is [O-]CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-3-trityloxypropan-1-olate?
The InChIKey is OKTGJRLSRLZYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27O3/c30-21-28(31-22-24-13-5-1-6-14-24)23-32-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2/q-1.
What are the key properties of 2-phenylmethoxy-3-trityloxypropan-1-olate?
2-phenylmethoxy-3-trityloxypropan-1-olate has a molecular weight of 423.53 g/mol, XLogP of 4.94, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-3-trityloxypropan-1-olate is sourced from PubChem (CID 140661134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).