4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol

C26H24N2O2 — CID 58759192

IUPAC4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol
SMILESOc1ccc(N(CCN(c2ccccc2)c2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O2/c29-25-15-11-23(12-16-25)27(21-7-3-1-4-8-21)19-20-28(22-9-5-2-6-10-22)24-13-17-26(30)18-14-24/h1-18,29-30H,19-20H2
InChIKeyXPSAATNSIGVAQN-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.07
Rot. Bonds7

About 4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol

4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol (PubChem CID 58759192) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol.

Molecular Properties

Compound Name4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol
PubChem CID58759192
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol
SMILESOc1ccc(N(CCN(c2ccccc2)c2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O2/c29-25-15-11-23(12-16-25)27(21-7-3-1-4-8-21)19-20-28(22-9-5-2-6-10-22)24-13-17-26(30)18-14-24/h1-18,29-30H,19-20H2
InChIKeyXPSAATNSIGVAQN-UHFFFAOYSA-N
XLogP6.07
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol?
The IUPAC name of 4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol (CID 58759192) is 4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol.
What is the SMILES notation for 4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol?
The canonical SMILES for 4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol is Oc1ccc(N(CCN(c2ccccc2)c2ccc(O)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol?
The InChIKey is XPSAATNSIGVAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c29-25-15-11-23(12-16-25)27(21-7-3-1-4-8-21)19-20-28(22-9-5-2-6-10-22)24-13-17-26(30)18-14-24/h1-18,29-30H,19-20H2.
What are the key properties of 4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol?
4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol has a molecular weight of 396.49 g/mol, XLogP of 6.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol is sourced from PubChem (CID 58759192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).