4-(4-tetradecoxyanilino)phenol

C26H39NO2 — CID 174780996

IUPAC4-(4-tetradecoxyanilino)phenol
SMILESCCCCCCCCCCCCCCOc1ccc(Nc2ccc(O)cc2)cc1
InChIInChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-29-26-20-16-24(17-21-26)27-23-14-18-25(28)19-15-23/h14-21,27-28H,2-13,22H2,1H3
InChIKeyMTYSSKWESNDDFX-UHFFFAOYSA-N
MW397.60 g/mol
LogP8.22
Rot. Bonds16

About 4-(4-tetradecoxyanilino)phenol

4-(4-tetradecoxyanilino)phenol (PubChem CID 174780996) has the molecular formula C26H39NO2 and a molecular weight of 397.60 g/mol. Its IUPAC name is 4-(4-tetradecoxyanilino)phenol.

Molecular Properties

Compound Name4-(4-tetradecoxyanilino)phenol
PubChem CID174780996
Molecular FormulaC26H39NO2
Molecular Weight397.60 g/mol
Exact Mass397.30
IUPAC Name4-(4-tetradecoxyanilino)phenol
SMILESCCCCCCCCCCCCCCOc1ccc(Nc2ccc(O)cc2)cc1
InChIInChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-29-26-20-16-24(17-21-26)27-23-14-18-25(28)19-15-23/h14-21,27-28H,2-13,22H2,1H3
InChIKeyMTYSSKWESNDDFX-UHFFFAOYSA-N
XLogP8.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
4-octadecoxyphenol
CID 22179059
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
4-[(4-hydroxyphenyl)-(4-octoxyphenyl)methyl]phenol
CID 139680451
4-(4-tetradecoxyphenyl)tellanylphenol
CID 10255753
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
4-hexoxy-N-methylaniline
CID 54803445

Frequently Asked Questions

What is the IUPAC name of 4-(4-tetradecoxyanilino)phenol?
The IUPAC name of 4-(4-tetradecoxyanilino)phenol (CID 174780996) is 4-(4-tetradecoxyanilino)phenol.
What is the SMILES notation for 4-(4-tetradecoxyanilino)phenol?
The canonical SMILES for 4-(4-tetradecoxyanilino)phenol is CCCCCCCCCCCCCCOc1ccc(Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-tetradecoxyanilino)phenol?
The InChIKey is MTYSSKWESNDDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-29-26-20-16-24(17-21-26)27-23-14-18-25(28)19-15-23/h14-21,27-28H,2-13,22H2,1H3.
What are the key properties of 4-(4-tetradecoxyanilino)phenol?
4-(4-tetradecoxyanilino)phenol has a molecular weight of 397.60 g/mol, XLogP of 8.22, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tetradecoxyanilino)phenol is sourced from PubChem (CID 174780996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).