2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol

C12H19NO3 — CID 112722156

IUPAC2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol
SMILESOCCCCCNc1ccc(O)c(CO)c1
InChIInChI=1S/C12H19NO3/c14-7-3-1-2-6-13-11-4-5-12(16)10(8-11)9-15/h4-5,8,13-16H,1-3,6-7,9H2
InChIKeyNNGSMRFPNGJZAF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.46
Rot. Bonds7

About 2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol

2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol (PubChem CID 112722156) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol
PubChem CID112722156
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol
SMILESOCCCCCNc1ccc(O)c(CO)c1
InChIInChI=1S/C12H19NO3/c14-7-3-1-2-6-13-11-4-5-12(16)10(8-11)9-15/h4-5,8,13-16H,1-3,6-7,9H2
InChIKeyNNGSMRFPNGJZAF-UHFFFAOYSA-N
XLogP1.46
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dichloroanilino)hexan-1-ol
CID 103801947
2-(hydroxymethyl)-4-(methylamino)phenol
CID 15333568
2-[2-amino-5-(6-hydroxyhexylamino)phenyl]acetonitrile
CID 107843953
2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol
CID 83962574
5-(4-bromoanilino)pentan-1-ol
CID 62227139
10-anilinodecan-1-ol
CID 10955954
5-[4-(2-hydroxyethyl)anilino]pentan-1-ol
CID 83962274
5-(3-bromoanilino)pentan-1-ol
CID 62227140
5-(3-iodoanilino)pentan-1-ol
CID 62228446
potassium 4-(11-hydroxyundecylamino)-2-(sulfomethyl)benzoate
CID 88737186
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
5-(3,5-dichloroanilino)pentan-1-ol
CID 62227515

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol?
The IUPAC name of 2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol (CID 112722156) is 2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol is OCCCCCNc1ccc(O)c(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol?
The InChIKey is NNGSMRFPNGJZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-7-3-1-2-6-13-11-4-5-12(16)10(8-11)9-15/h4-5,8,13-16H,1-3,6-7,9H2.
What are the key properties of 2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol?
2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol has a molecular weight of 225.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol is sourced from PubChem (CID 112722156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).