4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol

C21H30NO2P — CID 71191577

IUPAC4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol
SMILESCCCC(C)(Pc1ccc(C)cc1CNC)c1cc(OC)ccc1O
InChIInChI=1S/C21H30NO2P/c1-6-11-21(3,18-13-17(24-5)8-9-19(18)23)25-20-10-7-15(2)12-16(20)14-22-4/h7-10,12-13,22-23,25H,6,11,14H2,1-5H3
InChIKeyXNBNSWKAESMUIA-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.45
Rot. Bonds8

About 4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol

4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol (PubChem CID 71191577) has the molecular formula C21H30NO2P and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol
PubChem CID71191577
Molecular FormulaC21H30NO2P
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol
SMILESCCCC(C)(Pc1ccc(C)cc1CNC)c1cc(OC)ccc1O
InChIInChI=1S/C21H30NO2P/c1-6-11-21(3,18-13-17(24-5)8-9-19(18)23)25-20-10-7-15(2)12-16(20)14-22-4/h7-10,12-13,22-23,25H,6,11,14H2,1-5H3
InChIKeyXNBNSWKAESMUIA-UHFFFAOYSA-N
XLogP4.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
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 4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol?
The IUPAC name of 4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol (CID 71191577) is 4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol.
What is the SMILES notation for 4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol?
The canonical SMILES for 4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol is CCCC(C)(Pc1ccc(C)cc1CNC)c1cc(OC)ccc1O.
What is the InChIKey of 4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol?
The InChIKey is XNBNSWKAESMUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30NO2P/c1-6-11-21(3,18-13-17(24-5)8-9-19(18)23)25-20-10-7-15(2)12-16(20)14-22-4/h7-10,12-13,22-23,25H,6,11,14H2,1-5H3.
What are the key properties of 4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol?
4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol has a molecular weight of 359.45 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol is sourced from PubChem (CID 71191577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).