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

C9H13NO2 — CID 57225186

IUPAC4-(3-amino-3-hydroxypropyl)phenol
SMILESNC(O)CCc1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,9,11-12H,3,6,10H2
InChIKeyIHJABSWEMQWNGK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.60
Rot. Bonds3

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

4-(3-amino-3-hydroxypropyl)phenol (PubChem CID 57225186) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(3-amino-3-hydroxypropyl)phenol.

Molecular Properties

Compound Name4-(3-amino-3-hydroxypropyl)phenol
PubChem CID57225186
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(3-amino-3-hydroxypropyl)phenol
SMILESNC(O)CCc1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,9,11-12H,3,6,10H2
InChIKeyIHJABSWEMQWNGK-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(4-chlorophenyl)propan-1-ol
CID 68900643
(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432
4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol
CID 66690172
4-(3-aminobutyl)phenol;2,2-dimethylpropanal
CID 142227627
1-(4-hydroxyphenyl)heptane-3,4-diol
CID 83930457
4-(4-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026692
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
4-[(4R)-4,5-diaminopentyl]phenol
CID 67087005
4-(4-hydroxyphenyl)-2-iodobutanamide
CID 57297993
4-(3-methylpentyl)phenol
CID 57225129
4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol
CID 174651155
4-(3,5-dimethyloctyl)phenol
CID 174906830

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-hydroxypropyl)phenol?
The IUPAC name of 4-(3-amino-3-hydroxypropyl)phenol (CID 57225186) is 4-(3-amino-3-hydroxypropyl)phenol.
What is the SMILES notation for 4-(3-amino-3-hydroxypropyl)phenol?
The canonical SMILES for 4-(3-amino-3-hydroxypropyl)phenol is NC(O)CCc1ccc(O)cc1.
What is the InChIKey of 4-(3-amino-3-hydroxypropyl)phenol?
The InChIKey is IHJABSWEMQWNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,9,11-12H,3,6,10H2.
What are the key properties of 4-(3-amino-3-hydroxypropyl)phenol?
4-(3-amino-3-hydroxypropyl)phenol has a molecular weight of 167.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-hydroxypropyl)phenol is sourced from PubChem (CID 57225186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).