(5-amino-2-octoxyphenyl)methanol

C15H25NO2 — CID 22052

IUPAC(5-amino-2-octoxyphenyl)methanol
SMILESCCCCCCCCOc1ccc(N)cc1CO
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-10-18-15-9-8-14(16)11-13(15)12-17/h8-9,11,17H,2-7,10,12,16H2,1H3
InChIKeyOBBIUTKBYBFQRJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.50
Rot. Bonds9

About (5-amino-2-octoxyphenyl)methanol

(5-amino-2-octoxyphenyl)methanol (PubChem CID 22052) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (5-amino-2-octoxyphenyl)methanol.

Molecular Properties

Compound Name(5-amino-2-octoxyphenyl)methanol
PubChem CID22052
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(5-amino-2-octoxyphenyl)methanol
SMILESCCCCCCCCOc1ccc(N)cc1CO
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-10-18-15-9-8-14(16)11-13(15)12-17/h8-9,11,17H,2-7,10,12,16H2,1H3
InChIKeyOBBIUTKBYBFQRJ-UHFFFAOYSA-N
XLogP3.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-octoxyphenyl)methanol?
The IUPAC name of (5-amino-2-octoxyphenyl)methanol (CID 22052) is (5-amino-2-octoxyphenyl)methanol.
What is the SMILES notation for (5-amino-2-octoxyphenyl)methanol?
The canonical SMILES for (5-amino-2-octoxyphenyl)methanol is CCCCCCCCOc1ccc(N)cc1CO.
What is the InChIKey of (5-amino-2-octoxyphenyl)methanol?
The InChIKey is OBBIUTKBYBFQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-5-6-7-10-18-15-9-8-14(16)11-13(15)12-17/h8-9,11,17H,2-7,10,12,16H2,1H3.
What are the key properties of (5-amino-2-octoxyphenyl)methanol?
(5-amino-2-octoxyphenyl)methanol has a molecular weight of 251.37 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-octoxyphenyl)methanol is sourced from PubChem (CID 22052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).