2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol

C33H37NO2 — CID 153466776

IUPAC2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol
SMILESCC(C)c1cccc(C(C)C)c1NCCCOc1ccccc1-c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C33H37NO2/c1-23(2)26-16-10-17-27(24(3)4)32(26)34-21-12-22-36-31-20-9-8-15-29(31)30-19-11-18-28(33(30)35)25-13-6-5-7-14-25/h5-11,13-20,23-24,34-35H,12,21-22H2,1-4H3
InChIKeyYSUXTUBBQDXLHZ-UHFFFAOYSA-N
MW479.66 g/mol
LogP8.85
Rot. Bonds10

About 2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol

2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol (PubChem CID 153466776) has the molecular formula C33H37NO2 and a molecular weight of 479.66 g/mol. Its IUPAC name is 2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol
PubChem CID153466776
Molecular FormulaC33H37NO2
Molecular Weight479.66 g/mol
Exact Mass479.28
IUPAC Name2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol
SMILESCC(C)c1cccc(C(C)C)c1NCCCOc1ccccc1-c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C33H37NO2/c1-23(2)26-16-10-17-27(24(3)4)32(26)34-21-12-22-36-31-20-9-8-15-29(31)30-19-11-18-28(33(30)35)25-13-6-5-7-14-25/h5-11,13-20,23-24,34-35H,12,21-22H2,1-4H3
InChIKeyYSUXTUBBQDXLHZ-UHFFFAOYSA-N
XLogP8.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.66
LogP ≤ 58.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-ethyl-2-[3-[4-methyl-2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol
CID 153466754
2-[[2,6-di(propan-2-yl)anilino]methyl]-6-phenylphenol
CID 174772916
2-[5-ethyl-2-[3-[N-methyl-2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol
CID 153466682
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000
(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
CID 2233000
2-methyl-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine
CID 62449849
N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline
CID 86189291
N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54796175
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
2-(2-methylsulfanylphenyl)-6-phenylphenol
CID 142823591
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
N-[2-[3-[2-[2-[2,6-di(propan-2-yl)anilino]ethylamino]-4-methylphenoxy]propoxy]-5-methylphenyl]-N'-[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine
CID 122646862

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol?
The IUPAC name of 2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol (CID 153466776) is 2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol.
What is the SMILES notation for 2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol?
The canonical SMILES for 2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol is CC(C)c1cccc(C(C)C)c1NCCCOc1ccccc1-c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol?
The InChIKey is YSUXTUBBQDXLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37NO2/c1-23(2)26-16-10-17-27(24(3)4)32(26)34-21-12-22-36-31-20-9-8-15-29(31)30-19-11-18-28(33(30)35)25-13-6-5-7-14-25/h5-11,13-20,23-24,34-35H,12,21-22H2,1-4H3.
What are the key properties of 2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol?
2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol has a molecular weight of 479.66 g/mol, XLogP of 8.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol is sourced from PubChem (CID 153466776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).