4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol

C18H15NO3 — CID 18737472

IUPAC4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol
SMILESOc1ccc(N(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H15NO3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-22H
InChIKeyHUPXQMGQXGDRNA-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.27
Rot. Bonds3

About 4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol

4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol (PubChem CID 18737472) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol.

Molecular Properties

Compound Name4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol
PubChem CID18737472
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol
SMILESOc1ccc(N(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H15NO3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-22H
InChIKeyHUPXQMGQXGDRNA-UHFFFAOYSA-N
XLogP4.27
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol?
The IUPAC name of 4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol (CID 18737472) is 4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol.
What is the SMILES notation for 4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol?
The canonical SMILES for 4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol is Oc1ccc(N(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol?
The InChIKey is HUPXQMGQXGDRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-22H.
What are the key properties of 4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol?
4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol has a molecular weight of 293.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-N-(4-hydroxyphenyl)anilino)phenol is sourced from PubChem (CID 18737472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).