2-amino-5-(3-hydroxyprop-1-enyl)phenol

C9H11NO2 — CID 169453102

IUPAC2-amino-5-(3-hydroxyprop-1-enyl)phenol
SMILESNc1ccc(C=CCO)cc1O
InChIInChI=1S/C9H11NO2/c10-8-4-3-7(2-1-5-11)6-9(8)12/h1-4,6,11-12H,5,10H2
InChIKeyVSPZEDDGAXVTNR-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.98
Rot. Bonds2

About 2-amino-5-(3-hydroxyprop-1-enyl)phenol

2-amino-5-(3-hydroxyprop-1-enyl)phenol (PubChem CID 169453102) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-amino-5-(3-hydroxyprop-1-enyl)phenol.

Molecular Properties

Compound Name2-amino-5-(3-hydroxyprop-1-enyl)phenol
PubChem CID169453102
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-amino-5-(3-hydroxyprop-1-enyl)phenol
SMILESNc1ccc(C=CCO)cc1O
InChIInChI=1S/C9H11NO2/c10-8-4-3-7(2-1-5-11)6-9(8)12/h1-4,6,11-12H,5,10H2
InChIKeyVSPZEDDGAXVTNR-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol
CID 19933281
3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
CID 169453039
3-(3-amino-4-hydroperoxyphenyl)prop-2-en-1-ol
CID 123425328
2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641157
3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
CID 169453053
methyl 4-(4-amino-3-hydroxyphenyl)but-3-enoate
CID 170500638
2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641151
(E)-3-(4-amino-3-hydroxyphenyl)prop-2-enal
CID 11286642
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol
CID 139395182
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-hydroxyprop-1-enyl)phenol?
The IUPAC name of 2-amino-5-(3-hydroxyprop-1-enyl)phenol (CID 169453102) is 2-amino-5-(3-hydroxyprop-1-enyl)phenol.
What is the SMILES notation for 2-amino-5-(3-hydroxyprop-1-enyl)phenol?
The canonical SMILES for 2-amino-5-(3-hydroxyprop-1-enyl)phenol is Nc1ccc(C=CCO)cc1O.
What is the InChIKey of 2-amino-5-(3-hydroxyprop-1-enyl)phenol?
The InChIKey is VSPZEDDGAXVTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-8-4-3-7(2-1-5-11)6-9(8)12/h1-4,6,11-12H,5,10H2.
What are the key properties of 2-amino-5-(3-hydroxyprop-1-enyl)phenol?
2-amino-5-(3-hydroxyprop-1-enyl)phenol has a molecular weight of 165.19 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-hydroxyprop-1-enyl)phenol is sourced from PubChem (CID 169453102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).