2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol

C26H32NO2P — CID 58418959

IUPAC2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol
SMILESCOc1cccc(C)c1P(c1ccccc1N(C)C)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C26H32NO2P/c1-18-12-10-15-21(29-7)25(18)30(22-16-9-8-14-20(22)27(5)6)23-17-11-13-19(24(23)28)26(2,3)4/h8-17,28H,1-7H3
InChIKeyDGJHENURWQVSMC-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.83
Rot. Bonds5

About 2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol

2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol (PubChem CID 58418959) has the molecular formula C26H32NO2P and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol
PubChem CID58418959
Molecular FormulaC26H32NO2P
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol
SMILESCOc1cccc(C)c1P(c1ccccc1N(C)C)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C26H32NO2P/c1-18-12-10-15-21(29-7)25(18)30(22-16-9-8-14-20(22)27(5)6)23-17-11-13-19(24(23)28)26(2,3)4/h8-17,28H,1-7H3
InChIKeyDGJHENURWQVSMC-UHFFFAOYSA-N
XLogP4.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
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 2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol?
The IUPAC name of 2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol (CID 58418959) is 2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol is COc1cccc(C)c1P(c1ccccc1N(C)C)c1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol?
The InChIKey is DGJHENURWQVSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32NO2P/c1-18-12-10-15-21(29-7)25(18)30(22-16-9-8-14-20(22)27(5)6)23-17-11-13-19(24(23)28)26(2,3)4/h8-17,28H,1-7H3.
What are the key properties of 2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol?
2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol has a molecular weight of 421.52 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[2-(dimethylamino)phenyl]-(2-methoxy-6-methylphenyl)phosphanyl]phenol is sourced from PubChem (CID 58418959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).