2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol

C25H29O4P — CID 58418968

IUPAC2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol
SMILESCOc1cc(OC)c(P(c2ccccc2)c2cccc(C(C)(C)C)c2O)c(OC)c1
InChIInChI=1S/C25H29O4P/c1-25(2,3)19-13-10-14-22(23(19)26)30(18-11-8-7-9-12-18)24-20(28-5)15-17(27-4)16-21(24)29-6/h7-16,26H,1-6H3
InChIKeyGRZWKGUGFJWLGU-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.47
Rot. Bonds6

About 2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol

2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol (PubChem CID 58418968) has the molecular formula C25H29O4P and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol
PubChem CID58418968
Molecular FormulaC25H29O4P
Molecular Weight424.48 g/mol
Exact Mass424.18
IUPAC Name2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol
SMILESCOc1cc(OC)c(P(c2ccccc2)c2cccc(C(C)(C)C)c2O)c(OC)c1
InChIInChI=1S/C25H29O4P/c1-25(2,3)19-13-10-14-22(23(19)26)30(18-11-8-7-9-12-18)24-20(28-5)15-17(27-4)16-21(24)29-6/h7-16,26H,1-6H3
InChIKeyGRZWKGUGFJWLGU-UHFFFAOYSA-N
XLogP4.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol?
The IUPAC name of 2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol (CID 58418968) is 2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol is COc1cc(OC)c(P(c2ccccc2)c2cccc(C(C)(C)C)c2O)c(OC)c1.
What is the InChIKey of 2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol?
The InChIKey is GRZWKGUGFJWLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29O4P/c1-25(2,3)19-13-10-14-22(23(19)26)30(18-11-8-7-9-12-18)24-20(28-5)15-17(27-4)16-21(24)29-6/h7-16,26H,1-6H3.
What are the key properties of 2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol?
2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol has a molecular weight of 424.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol is sourced from PubChem (CID 58418968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).