2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol

C26H40NOP — CID 71191702

IUPAC2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol
SMILESCCCC(CC)(Pc1c(C)cccc1N(C(C)C)C(C)C)c1cc(C)ccc1O
InChIInChI=1S/C26H40NOP/c1-9-16-26(10-2,22-17-20(7)14-15-24(22)28)29-25-21(8)12-11-13-23(25)27(18(3)4)19(5)6/h11-15,17-19,28-29H,9-10,16H2,1-8H3
InChIKeyRUIGIKLVBVPSDO-UHFFFAOYSA-N
MW413.59 g/mol
LogP7.04
Rot. Bonds9

About 2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol

2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol (PubChem CID 71191702) has the molecular formula C26H40NOP and a molecular weight of 413.59 g/mol. Its IUPAC name is 2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol
PubChem CID71191702
Molecular FormulaC26H40NOP
Molecular Weight413.59 g/mol
Exact Mass413.28
IUPAC Name2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol
SMILESCCCC(CC)(Pc1c(C)cccc1N(C(C)C)C(C)C)c1cc(C)ccc1O
InChIInChI=1S/C26H40NOP/c1-9-16-26(10-2,22-17-20(7)14-15-24(22)28)29-25-21(8)12-11-13-23(25)27(18(3)4)19(5)6/h11-15,17-19,28-29H,9-10,16H2,1-8H3
InChIKeyRUIGIKLVBVPSDO-UHFFFAOYSA-N
XLogP7.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.59
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol
CID 71191488
2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methyl-N,N-di(propan-2-yl)aniline
CID 89356666
4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
CID 71191515
4-tert-butyl-2-[3-[2-(diphenylphosphanylmethyl)-6-methylphenyl]phosphanylhexan-3-yl]-6-methylphenol
CID 71191439
2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol
CID 70807504
2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol
CID 71191937
2-methyl-6-[3-[4-methyl-2-(1-sulfanylethyl)phenyl]phosphanylpentan-3-yl]phenol
CID 89214335
2-tert-butyl-6-[3-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-3-yl]-4-methylphenol
CID 88969217
[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89356515
1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 89356303
1-[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 89356451
2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol
CID 71039669

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol?
The IUPAC name of 2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol (CID 71191702) is 2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol.
What is the SMILES notation for 2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol?
The canonical SMILES for 2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol is CCCC(CC)(Pc1c(C)cccc1N(C(C)C)C(C)C)c1cc(C)ccc1O.
What is the InChIKey of 2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol?
The InChIKey is RUIGIKLVBVPSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40NOP/c1-9-16-26(10-2,22-17-20(7)14-15-24(22)28)29-25-21(8)12-11-13-23(25)27(18(3)4)19(5)6/h11-15,17-19,28-29H,9-10,16H2,1-8H3.
What are the key properties of 2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol?
2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol has a molecular weight of 413.59 g/mol, XLogP of 7.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol is sourced from PubChem (CID 71191702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).