3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol

C19H25NO2 — CID 146507702

IUPAC3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol
SMILESCc1cc(C)c(N(CCCCO)c2cccc(O)c2)c(C)c1
InChIInChI=1S/C19H25NO2/c1-14-11-15(2)19(16(3)12-14)20(9-4-5-10-21)17-7-6-8-18(22)13-17/h6-8,11-13,21-22H,4-5,9-10H2,1-3H3
InChIKeyUWMSTAARANWLIS-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.23
Rot. Bonds6

About 3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol

3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol (PubChem CID 146507702) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol.

Molecular Properties

Compound Name3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol
PubChem CID146507702
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol
SMILESCc1cc(C)c(N(CCCCO)c2cccc(O)c2)c(C)c1
InChIInChI=1S/C19H25NO2/c1-14-11-15(2)19(16(3)12-14)20(9-4-5-10-21)17-7-6-8-18(22)13-17/h6-8,11-13,21-22H,4-5,9-10H2,1-3H3
InChIKeyUWMSTAARANWLIS-UHFFFAOYSA-N
XLogP4.23
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol?
The IUPAC name of 3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol (CID 146507702) is 3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol.
What is the SMILES notation for 3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol?
The canonical SMILES for 3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol is Cc1cc(C)c(N(CCCCO)c2cccc(O)c2)c(C)c1.
What is the InChIKey of 3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol?
The InChIKey is UWMSTAARANWLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14-11-15(2)19(16(3)12-14)20(9-4-5-10-21)17-7-6-8-18(22)13-17/h6-8,11-13,21-22H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol?
3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol has a molecular weight of 299.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol is sourced from PubChem (CID 146507702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).