4-amino-3-ethenylphenol

C8H8NO- — CID 123878625

IUPAC4-amino-3-ethenylphenol
SMILES[H]/[C-]=C/c1cc(O)ccc1N
InChIInChI=1S/C8H8NO/c1-2-6-5-7(10)3-4-8(6)9/h1-5,10H,9H2/q-1
InChIKeySCZGNLPVRPWOMT-UHFFFAOYSA-N
MW134.16 g/mol
LogP1.42
Rot. Bonds1

About 4-amino-3-ethenylphenol

4-amino-3-ethenylphenol (PubChem CID 123878625) has the molecular formula C8H8NO- and a molecular weight of 134.16 g/mol. Its IUPAC name is 4-amino-3-ethenylphenol.

Molecular Properties

Compound Name4-amino-3-ethenylphenol
PubChem CID123878625
Molecular FormulaC8H8NO-
Molecular Weight134.16 g/mol
Exact Mass134.06
IUPAC Name4-amino-3-ethenylphenol
SMILES[H]/[C-]=C/c1cc(O)ccc1N
InChIInChI=1S/C8H8NO/c1-2-6-5-7(10)3-4-8(6)9/h1-5,10H,9H2/q-1
InChIKeySCZGNLPVRPWOMT-UHFFFAOYSA-N
XLogP1.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-amino-3-ethenylphenol with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane
CID 153368047
4-amino-3-iodophenol;hydrochloride
CID 86775296
ethane;4-hydroxyphthalaldehyde
CID 90973394
4-[2,3-diamino-4-(2,4-dihydroxyphenyl)buta-1,3-dienyl]benzene-1,3-diol
CID 154312775
3-(2-amino-4-hydroxyphenyl)prop-2-enenitrile
CID 169483256
4-(3,4-diaminophenyl)phenol
CID 19907643
argon;benzene-1,4-diol
CID 71441175
4-amino-3-(1-aminocyclopropyl)phenol
CID 115012955
5-amino-8-bromonaphthalen-2-ol
CID 162686378
3-amino-4-hydrazinylphenol
CID 119000444
4-chloro-3-methanehydrazonoylphenol
CID 168529180
4-aminobenzene-1,3-diol;toluene
CID 143575569

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethenylphenol?
The IUPAC name of 4-amino-3-ethenylphenol (CID 123878625) is 4-amino-3-ethenylphenol.
What is the SMILES notation for 4-amino-3-ethenylphenol?
The canonical SMILES for 4-amino-3-ethenylphenol is [H]/[C-]=C/c1cc(O)ccc1N.
What is the InChIKey of 4-amino-3-ethenylphenol?
The InChIKey is SCZGNLPVRPWOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO/c1-2-6-5-7(10)3-4-8(6)9/h1-5,10H,9H2/q-1.
What are the key properties of 4-amino-3-ethenylphenol?
4-amino-3-ethenylphenol has a molecular weight of 134.16 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethenylphenol is sourced from PubChem (CID 123878625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).