ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane

C29H37O3P — CID 121483097

IUPACditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane
SMILESCOc1cc(OC)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(OC)c1-c1ccccc1
InChIInChI=1S/C29H37O3P/c1-28(2,3)33(29(4,5)6)24-18-14-13-17-21(24)26-23(31-8)19-22(30-7)25(27(26)32-9)20-15-11-10-12-16-20/h10-19H,1-9H3
InChIKeyANXPGRBTDFGANU-UHFFFAOYSA-N
MW464.59 g/mol
LogP7.75
Rot. Bonds6

About ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane

ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane (PubChem CID 121483097) has the molecular formula C29H37O3P and a molecular weight of 464.59 g/mol. Its IUPAC name is ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane
PubChem CID121483097
Molecular FormulaC29H37O3P
Molecular Weight464.59 g/mol
Exact Mass464.25
IUPAC Nameditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane
SMILESCOc1cc(OC)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(OC)c1-c1ccccc1
InChIInChI=1S/C29H37O3P/c1-28(2,3)33(29(4,5)6)24-18-14-13-17-21(24)26-23(31-8)19-22(30-7)25(27(26)32-9)20-15-11-10-12-16-20/h10-19H,1-9H3
InChIKeyANXPGRBTDFGANU-UHFFFAOYSA-N
XLogP7.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane?
The IUPAC name of ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane (CID 121483097) is ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane.
What is the SMILES notation for ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane?
The canonical SMILES for ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane is COc1cc(OC)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(OC)c1-c1ccccc1.
What is the InChIKey of ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane?
The InChIKey is ANXPGRBTDFGANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37O3P/c1-28(2,3)33(29(4,5)6)24-18-14-13-17-21(24)26-23(31-8)19-22(30-7)25(27(26)32-9)20-15-11-10-12-16-20/h10-19H,1-9H3.
What are the key properties of ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane?
ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane has a molecular weight of 464.59 g/mol, XLogP of 7.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[2-(2,4,6-trimethoxy-3-phenylphenyl)phenyl]phosphane is sourced from PubChem (CID 121483097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).