4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol

C17H21NO2 — CID 44580265

IUPAC4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol
SMILESCC(C)CCN(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-13(2)11-12-18(14-3-7-16(19)8-4-14)15-5-9-17(20)10-6-15/h3-10,13,19-20H,11-12H2,1-2H3
InChIKeyNJUAOIGKNOUCAZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.28
Rot. Bonds5

About 4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol

4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol (PubChem CID 44580265) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol.

Molecular Properties

Compound Name4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol
PubChem CID44580265
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol
SMILESCC(C)CCN(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-13(2)11-12-18(14-3-7-16(19)8-4-14)15-5-9-17(20)10-6-15/h3-10,13,19-20H,11-12H2,1-2H3
InChIKeyNJUAOIGKNOUCAZ-UHFFFAOYSA-N
XLogP4.28
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol?
The IUPAC name of 4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol (CID 44580265) is 4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol.
What is the SMILES notation for 4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol?
The canonical SMILES for 4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol is CC(C)CCN(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol?
The InChIKey is NJUAOIGKNOUCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(2)11-12-18(14-3-7-16(19)8-4-14)15-5-9-17(20)10-6-15/h3-10,13,19-20H,11-12H2,1-2H3.
What are the key properties of 4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol?
4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol has a molecular weight of 271.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol is sourced from PubChem (CID 44580265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).