2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane

C35H48NOP — CID 71040075

IUPAC2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane
SMILESCCC(C)(Pc1ccc(C)cc1CN1CCCCC1)c1cc(C)cc(C(C)(C)C)c1OCc1ccccc1
InChIInChI=1S/C35H48NOP/c1-8-35(7,38-32-18-17-26(2)21-29(32)24-36-19-13-10-14-20-36)31-23-27(3)22-30(34(4,5)6)33(31)37-25-28-15-11-9-12-16-28/h9,11-12,15-18,21-23,38H,8,10,13-14,19-20,24-25H2,1-7H3
InChIKeyVZDGZJGYSDFKNK-UHFFFAOYSA-N
MW529.75 g/mol
LogP8.80
Rot. Bonds9

About 2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane

2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane (PubChem CID 71040075) has the molecular formula C35H48NOP and a molecular weight of 529.75 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane.

Molecular Properties

Compound Name2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane
PubChem CID71040075
Molecular FormulaC35H48NOP
Molecular Weight529.75 g/mol
Exact Mass529.35
IUPAC Name2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane
SMILESCCC(C)(Pc1ccc(C)cc1CN1CCCCC1)c1cc(C)cc(C(C)(C)C)c1OCc1ccccc1
InChIInChI=1S/C35H48NOP/c1-8-35(7,38-32-18-17-26(2)21-29(32)24-36-19-13-10-14-20-36)31-23-27(3)22-30(34(4,5)6)33(31)37-25-28-15-11-9-12-16-28/h9,11-12,15-18,21-23,38H,8,10,13-14,19-20,24-25H2,1-7H3
InChIKeyVZDGZJGYSDFKNK-UHFFFAOYSA-N
XLogP8.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.75
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane?
The IUPAC name of 2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane (CID 71040075) is 2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane.
What is the SMILES notation for 2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane?
The canonical SMILES for 2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane is CCC(C)(Pc1ccc(C)cc1CN1CCCCC1)c1cc(C)cc(C(C)(C)C)c1OCc1ccccc1.
What is the InChIKey of 2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane?
The InChIKey is VZDGZJGYSDFKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48NOP/c1-8-35(7,38-32-18-17-26(2)21-29(32)24-36-19-13-10-14-20-36)31-23-27(3)22-30(34(4,5)6)33(31)37-25-28-15-11-9-12-16-28/h9,11-12,15-18,21-23,38H,8,10,13-14,19-20,24-25H2,1-7H3.
What are the key properties of 2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane?
2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane has a molecular weight of 529.75 g/mol, XLogP of 8.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)butan-2-yl-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane is sourced from PubChem (CID 71040075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).