3-(N-benzyl-3-hydroxyanilino)phenol

C19H17NO2 — CID 86210696

IUPAC3-(N-benzyl-3-hydroxyanilino)phenol
SMILESOc1cccc(N(Cc2ccccc2)c2cccc(O)c2)c1
InChIInChI=1S/C19H17NO2/c21-18-10-4-8-16(12-18)20(14-15-6-2-1-3-7-15)17-9-5-11-19(22)13-17/h1-13,21-22H,14H2
InChIKeyPPLMNRCHQHNCRU-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.44
Rot. Bonds4

About 3-(N-benzyl-3-hydroxyanilino)phenol

3-(N-benzyl-3-hydroxyanilino)phenol (PubChem CID 86210696) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(N-benzyl-3-hydroxyanilino)phenol.

Molecular Properties

Compound Name3-(N-benzyl-3-hydroxyanilino)phenol
PubChem CID86210696
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-(N-benzyl-3-hydroxyanilino)phenol
SMILESOc1cccc(N(Cc2ccccc2)c2cccc(O)c2)c1
InChIInChI=1S/C19H17NO2/c21-18-10-4-8-16(12-18)20(14-15-6-2-1-3-7-15)17-9-5-11-19(22)13-17/h1-13,21-22H,14H2
InChIKeyPPLMNRCHQHNCRU-UHFFFAOYSA-N
XLogP4.44
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(N-benzyl-3-hydroxyanilino)phenol?
The IUPAC name of 3-(N-benzyl-3-hydroxyanilino)phenol (CID 86210696) is 3-(N-benzyl-3-hydroxyanilino)phenol.
What is the SMILES notation for 3-(N-benzyl-3-hydroxyanilino)phenol?
The canonical SMILES for 3-(N-benzyl-3-hydroxyanilino)phenol is Oc1cccc(N(Cc2ccccc2)c2cccc(O)c2)c1.
What is the InChIKey of 3-(N-benzyl-3-hydroxyanilino)phenol?
The InChIKey is PPLMNRCHQHNCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-18-10-4-8-16(12-18)20(14-15-6-2-1-3-7-15)17-9-5-11-19(22)13-17/h1-13,21-22H,14H2.
What are the key properties of 3-(N-benzyl-3-hydroxyanilino)phenol?
3-(N-benzyl-3-hydroxyanilino)phenol has a molecular weight of 291.35 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-benzyl-3-hydroxyanilino)phenol is sourced from PubChem (CID 86210696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).