4-[(3-hydroxypropylamino)-phenylmethyl]phenol

C16H19NO2 — CID 2947852

IUPAC4-[(3-hydroxypropylamino)-phenylmethyl]phenol
SMILESOCCCNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H19NO2/c18-12-4-11-17-16(13-5-2-1-3-6-13)14-7-9-15(19)10-8-14/h1-3,5-10,16-19H,4,11-12H2
InChIKeyJKAGXGNWPVUXFO-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.45
Rot. Bonds6

About 4-[(3-hydroxypropylamino)-phenylmethyl]phenol

4-[(3-hydroxypropylamino)-phenylmethyl]phenol (PubChem CID 2947852) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(3-hydroxypropylamino)-phenylmethyl]phenol.

Molecular Properties

Compound Name4-[(3-hydroxypropylamino)-phenylmethyl]phenol
PubChem CID2947852
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[(3-hydroxypropylamino)-phenylmethyl]phenol
SMILESOCCCNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H19NO2/c18-12-4-11-17-16(13-5-2-1-3-6-13)14-7-9-15(19)10-8-14/h1-3,5-10,16-19H,4,11-12H2
InChIKeyJKAGXGNWPVUXFO-UHFFFAOYSA-N
XLogP2.45
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3-hydroxypropylamino)-phenylmethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxypropylamino)-phenylmethyl]phenol?
The IUPAC name of 4-[(3-hydroxypropylamino)-phenylmethyl]phenol (CID 2947852) is 4-[(3-hydroxypropylamino)-phenylmethyl]phenol.
What is the SMILES notation for 4-[(3-hydroxypropylamino)-phenylmethyl]phenol?
The canonical SMILES for 4-[(3-hydroxypropylamino)-phenylmethyl]phenol is OCCCNC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(3-hydroxypropylamino)-phenylmethyl]phenol?
The InChIKey is JKAGXGNWPVUXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-12-4-11-17-16(13-5-2-1-3-6-13)14-7-9-15(19)10-8-14/h1-3,5-10,16-19H,4,11-12H2.
What are the key properties of 4-[(3-hydroxypropylamino)-phenylmethyl]phenol?
4-[(3-hydroxypropylamino)-phenylmethyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxypropylamino)-phenylmethyl]phenol is sourced from PubChem (CID 2947852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).