3-amino-4-(3-hydroxypropyl)phenol

C9H13NO2 — CID 67360717

IUPAC3-amino-4-(3-hydroxypropyl)phenol
SMILESNc1cc(O)ccc1CCCO
InChIInChI=1S/C9H13NO2/c10-9-6-8(12)4-3-7(9)2-1-5-11/h3-4,6,11-12H,1-2,5,10H2
InChIKeyMIUVPCMFFAHQTA-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.90
Rot. Bonds3

About 3-amino-4-(3-hydroxypropyl)phenol

3-amino-4-(3-hydroxypropyl)phenol (PubChem CID 67360717) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-amino-4-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name3-amino-4-(3-hydroxypropyl)phenol
PubChem CID67360717
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-amino-4-(3-hydroxypropyl)phenol
SMILESNc1cc(O)ccc1CCCO
InChIInChI=1S/C9H13NO2/c10-9-6-8(12)4-3-7(9)2-1-5-11/h3-4,6,11-12H,1-2,5,10H2
InChIKeyMIUVPCMFFAHQTA-UHFFFAOYSA-N
XLogP0.90
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.90
H-Bond Donors ≤ 53
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 3-amino-4-(3-hydroxypropyl)phenol?
The IUPAC name of 3-amino-4-(3-hydroxypropyl)phenol (CID 67360717) is 3-amino-4-(3-hydroxypropyl)phenol.
What is the SMILES notation for 3-amino-4-(3-hydroxypropyl)phenol?
The canonical SMILES for 3-amino-4-(3-hydroxypropyl)phenol is Nc1cc(O)ccc1CCCO.
What is the InChIKey of 3-amino-4-(3-hydroxypropyl)phenol?
The InChIKey is MIUVPCMFFAHQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c10-9-6-8(12)4-3-7(9)2-1-5-11/h3-4,6,11-12H,1-2,5,10H2.
What are the key properties of 3-amino-4-(3-hydroxypropyl)phenol?
3-amino-4-(3-hydroxypropyl)phenol has a molecular weight of 167.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-hydroxypropyl)phenol is sourced from PubChem (CID 67360717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).