4-(2-amino-5-pentan-3-yloxyphenyl)phenol

C17H21NO2 — CID 89124053

IUPAC4-(2-amino-5-pentan-3-yloxyphenyl)phenol
SMILESCCC(CC)Oc1ccc(N)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C17H21NO2/c1-3-14(4-2)20-15-9-10-17(18)16(11-15)12-5-7-13(19)8-6-12/h5-11,14,19H,3-4,18H2,1-2H3
InChIKeyZHBAOIPZZDCSGM-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.21
Rot. Bonds5

About 4-(2-amino-5-pentan-3-yloxyphenyl)phenol

4-(2-amino-5-pentan-3-yloxyphenyl)phenol (PubChem CID 89124053) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2-amino-5-pentan-3-yloxyphenyl)phenol.

Molecular Properties

Compound Name4-(2-amino-5-pentan-3-yloxyphenyl)phenol
PubChem CID89124053
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-(2-amino-5-pentan-3-yloxyphenyl)phenol
SMILESCCC(CC)Oc1ccc(N)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C17H21NO2/c1-3-14(4-2)20-15-9-10-17(18)16(11-15)12-5-7-13(19)8-6-12/h5-11,14,19H,3-4,18H2,1-2H3
InChIKeyZHBAOIPZZDCSGM-UHFFFAOYSA-N
XLogP4.21
TPSA55.48 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 ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-pentan-3-yloxyphenyl)phenol?
The IUPAC name of 4-(2-amino-5-pentan-3-yloxyphenyl)phenol (CID 89124053) is 4-(2-amino-5-pentan-3-yloxyphenyl)phenol.
What is the SMILES notation for 4-(2-amino-5-pentan-3-yloxyphenyl)phenol?
The canonical SMILES for 4-(2-amino-5-pentan-3-yloxyphenyl)phenol is CCC(CC)Oc1ccc(N)c(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-(2-amino-5-pentan-3-yloxyphenyl)phenol?
The InChIKey is ZHBAOIPZZDCSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-14(4-2)20-15-9-10-17(18)16(11-15)12-5-7-13(19)8-6-12/h5-11,14,19H,3-4,18H2,1-2H3.
What are the key properties of 4-(2-amino-5-pentan-3-yloxyphenyl)phenol?
4-(2-amino-5-pentan-3-yloxyphenyl)phenol has a molecular weight of 271.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-pentan-3-yloxyphenyl)phenol is sourced from PubChem (CID 89124053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).