(2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran

C31H29O3PTe — CID 135063103

IUPAC(2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran
SMILESCOc1ccc(C2=C[Te][C@H](P(=O)(c3ccccc3)c3ccccc3)[C@@H](c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C31H29O3PTe/c1-33-26-17-13-23(14-18-26)25-21-30(24-15-19-27(34-2)20-16-24)31(36-22-25)35(32,28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-20,22,30-31H,21H2,1-2H3/t30-,31+/m1/s1
InChIKeyWXNQJHXXHIZLIC-JSOSNVBQSA-N
MW608.14 g/mol
LogP6.28
Rot. Bonds7

About (2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran

(2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran (PubChem CID 135063103) has the molecular formula C31H29O3PTe and a molecular weight of 608.14 g/mol. Its IUPAC name is (2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran.

Molecular Properties

Compound Name(2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran
PubChem CID135063103
Molecular FormulaC31H29O3PTe
Molecular Weight608.14 g/mol
Exact Mass610.09
IUPAC Name(2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran
SMILESCOc1ccc(C2=C[Te][C@H](P(=O)(c3ccccc3)c3ccccc3)[C@@H](c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C31H29O3PTe/c1-33-26-17-13-23(14-18-26)25-21-30(24-15-19-27(34-2)20-16-24)31(36-22-25)35(32,28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-20,22,30-31H,21H2,1-2H3/t30-,31+/m1/s1
InChIKeyWXNQJHXXHIZLIC-JSOSNVBQSA-N
XLogP6.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.14
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
CID 78120587
ethyl (1R,6S)-6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-ene-1-carboxylate;ethyl (1S,6R)-6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-ene-1-carboxylate
CID 139084600
(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 138963774
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 84563591
(1S,3R,4S)-3-(4-methoxyphenyl)-2-phenyl-2-azabicyclo[2.2.2]octan-5-one
CID 102491604
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran
CID 154712619
(3R,4S)-1-[2-(dimethylamino)ethyl]-3-methoxy-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 15106818
(E)-1-[(1S,2R,6R)-2-hydroxy-2,4-bis(4-methoxyphenyl)-6-phenylcyclohex-3-en-1-yl]-3-phenylprop-2-en-1-one
CID 51722306
2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one
CID 71347213
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran?
The IUPAC name of (2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran (CID 135063103) is (2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran.
What is the SMILES notation for (2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran?
The canonical SMILES for (2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran is COc1ccc(C2=C[Te][C@H](P(=O)(c3ccccc3)c3ccccc3)[C@@H](c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of (2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran?
The InChIKey is WXNQJHXXHIZLIC-JSOSNVBQSA-N. The full InChI is InChI=1S/C31H29O3PTe/c1-33-26-17-13-23(14-18-26)25-21-30(24-15-19-27(34-2)20-16-24)31(36-22-25)35(32,28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-20,22,30-31H,21H2,1-2H3/t30-,31+/m1/s1.
What are the key properties of (2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran?
(2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran has a molecular weight of 608.14 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran is sourced from PubChem (CID 135063103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).