2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol

C32H36NO2P — CID 70807505

IUPAC2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol
SMILESCCC(CC)(Pc1c(C)cccc1CN(c1ccccc1)c1ccccc1)c1cccc(OC)c1O
InChIInChI=1S/C32H36NO2P/c1-5-32(6-2,28-21-14-22-29(35-4)30(28)34)36-31-24(3)15-13-16-25(31)23-33(26-17-9-7-10-18-26)27-19-11-8-12-20-27/h7-22,34,36H,5-6,23H2,1-4H3
InChIKeyQGEWUZZFCMKGDX-UHFFFAOYSA-N
MW497.62 g/mol
LogP8.07
Rot. Bonds10

About 2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol

2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol (PubChem CID 70807505) has the molecular formula C32H36NO2P and a molecular weight of 497.62 g/mol. Its IUPAC name is 2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol
PubChem CID70807505
Molecular FormulaC32H36NO2P
Molecular Weight497.62 g/mol
Exact Mass497.25
IUPAC Name2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol
SMILESCCC(CC)(Pc1c(C)cccc1CN(c1ccccc1)c1ccccc1)c1cccc(OC)c1O
InChIInChI=1S/C32H36NO2P/c1-5-32(6-2,28-21-14-22-29(35-4)30(28)34)36-31-24(3)15-13-16-25(31)23-33(26-17-9-7-10-18-26)27-19-11-8-12-20-27/h7-22,34,36H,5-6,23H2,1-4H3
InChIKeyQGEWUZZFCMKGDX-UHFFFAOYSA-N
XLogP8.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[3-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-3-yl]-4-methylphenol
CID 88969217
N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline
CID 67257070
N-[[2-[3-[3-benzyl-2-(methoxymethoxy)phenyl]pentan-3-ylphosphanyl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 89214378
2-[3-(2-fluorophenyl)phosphanylpentan-3-yl]-6-methylphenol
CID 70807474
2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol
CID 71191689
2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
CID 89214353
4-tert-butyl-2-[3-[2-(diphenylphosphanylmethyl)-6-methylphenyl]phosphanylhexan-3-yl]-6-methylphenol
CID 71191439
(2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane
CID 88969075
dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane
CID 71039959
2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol
CID 70807553
2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol
CID 71040177
N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89356601

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol?
The IUPAC name of 2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol (CID 70807505) is 2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol.
What is the SMILES notation for 2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol?
The canonical SMILES for 2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol is CCC(CC)(Pc1c(C)cccc1CN(c1ccccc1)c1ccccc1)c1cccc(OC)c1O.
What is the InChIKey of 2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol?
The InChIKey is QGEWUZZFCMKGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36NO2P/c1-5-32(6-2,28-21-14-22-29(35-4)30(28)34)36-31-24(3)15-13-16-25(31)23-33(26-17-9-7-10-18-26)27-19-11-8-12-20-27/h7-22,34,36H,5-6,23H2,1-4H3.
What are the key properties of 2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol?
2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol has a molecular weight of 497.62 g/mol, XLogP of 8.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[3-[2-methyl-6-[(N-phenylanilino)methyl]phenyl]phosphanylpentan-3-yl]phenol is sourced from PubChem (CID 70807505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).