(1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol

C39H38O4 — CID 156903596

IUPAC(1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol
SMILESO[C@]1(COCc2ccccc2)[C@@H](OCc2ccccc2)CC[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H38O4/c40-38(30-41-28-31-16-6-1-7-17-31)36(42-29-32-18-8-2-9-19-32)26-27-37(38)43-39(33-20-10-3-11-21-33,34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-25,36-37,40H,26-30H2/t36-,37-,38+/m0/s1
InChIKeyVWEHXWFTYFLMOK-XEZIGOATSA-N
MW570.73 g/mol
LogP7.69
Rot. Bonds12

About (1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol

(1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol (PubChem CID 156903596) has the molecular formula C39H38O4 and a molecular weight of 570.73 g/mol. Its IUPAC name is (1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol
PubChem CID156903596
Molecular FormulaC39H38O4
Molecular Weight570.73 g/mol
Exact Mass570.28
IUPAC Name(1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol
SMILESO[C@]1(COCc2ccccc2)[C@@H](OCc2ccccc2)CC[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H38O4/c40-38(30-41-28-31-16-6-1-7-17-31)36(42-29-32-18-8-2-9-19-32)26-27-37(38)43-39(33-20-10-3-11-21-33,34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-25,36-37,40H,26-30H2/t36-,37-,38+/m0/s1
InChIKeyVWEHXWFTYFLMOK-XEZIGOATSA-N
XLogP7.69
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.73
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 150254240
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(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
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1,3-diphenyl-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 135017707
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1R,2R,4R)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 15868442
CID 66734377
CID 66734377
(3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
CID 14427833

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol?
The IUPAC name of (1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol (CID 156903596) is (1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol.
What is the SMILES notation for (1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol?
The canonical SMILES for (1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol is O[C@]1(COCc2ccccc2)[C@@H](OCc2ccccc2)CC[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol?
The InChIKey is VWEHXWFTYFLMOK-XEZIGOATSA-N. The full InChI is InChI=1S/C39H38O4/c40-38(30-41-28-31-16-6-1-7-17-31)36(42-29-32-18-8-2-9-19-32)26-27-37(38)43-39(33-20-10-3-11-21-33,34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-25,36-37,40H,26-30H2/t36-,37-,38+/m0/s1.
What are the key properties of (1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol?
(1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol has a molecular weight of 570.73 g/mol, XLogP of 7.69, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-2-phenylmethoxy-1-(phenylmethoxymethyl)-5-trityloxycyclopentan-1-ol is sourced from PubChem (CID 156903596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).