[5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane

C33H37OP — CID 15942561

IUPAC[5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane
SMILESCO[C@H](Cc1cc(C)cc(C)c1)c1ccc(C(C)(C)C)cc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37OP/c1-24-19-25(2)21-26(20-24)22-31(34-6)30-18-17-27(33(3,4)5)23-32(30)35(28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-21,23,31H,22H2,1-6H3/t31-/m1/s1
InChIKeyIDAXRAZQUYYFNX-WJOKGBTCSA-N
MW480.63 g/mol
LogP7.29
Rot. Bonds7

About [5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane

[5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane (PubChem CID 15942561) has the molecular formula C33H37OP and a molecular weight of 480.63 g/mol. Its IUPAC name is [5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane
PubChem CID15942561
Molecular FormulaC33H37OP
Molecular Weight480.63 g/mol
Exact Mass480.26
IUPAC Name[5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane
SMILESCO[C@H](Cc1cc(C)cc(C)c1)c1ccc(C(C)(C)C)cc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37OP/c1-24-19-25(2)21-26(20-24)22-31(34-6)30-18-17-27(33(3,4)5)23-32(30)35(28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-21,23,31H,22H2,1-6H3/t31-/m1/s1
InChIKeyIDAXRAZQUYYFNX-WJOKGBTCSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane?
The IUPAC name of [5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane (CID 15942561) is [5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane?
The canonical SMILES for [5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane is CO[C@H](Cc1cc(C)cc(C)c1)c1ccc(C(C)(C)C)cc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane?
The InChIKey is IDAXRAZQUYYFNX-WJOKGBTCSA-N. The full InChI is InChI=1S/C33H37OP/c1-24-19-25(2)21-26(20-24)22-31(34-6)30-18-17-27(33(3,4)5)23-32(30)35(28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-21,23,31H,22H2,1-6H3/t31-/m1/s1.
What are the key properties of [5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane?
[5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane has a molecular weight of 480.63 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-2-[(1R)-2-(3,5-dimethylphenyl)-1-methoxyethyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 15942561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).