4-amino-2,3-bis(ethenyl)-6-methylphenol

C11H13NO — CID 163302498

IUPAC4-amino-2,3-bis(ethenyl)-6-methylphenol
SMILESC=Cc1c(N)cc(C)c(O)c1C=C
InChIInChI=1S/C11H13NO/c1-4-8-9(5-2)11(13)7(3)6-10(8)12/h4-6,13H,1-2,12H2,3H3
InChIKeyORCQNQXEYSAOGX-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.57
Rot. Bonds2

About 4-amino-2,3-bis(ethenyl)-6-methylphenol

4-amino-2,3-bis(ethenyl)-6-methylphenol (PubChem CID 163302498) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-amino-2,3-bis(ethenyl)-6-methylphenol.

Molecular Properties

Compound Name4-amino-2,3-bis(ethenyl)-6-methylphenol
PubChem CID163302498
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-amino-2,3-bis(ethenyl)-6-methylphenol
SMILESC=Cc1c(N)cc(C)c(O)c1C=C
InChIInChI=1S/C11H13NO/c1-4-8-9(5-2)11(13)7(3)6-10(8)12/h4-6,13H,1-2,12H2,3H3
InChIKeyORCQNQXEYSAOGX-UHFFFAOYSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(ethenyl)-4,6-dimethylphenol;ethane
CID 144779351
2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline
CID 142851551
4-amino-2-bromo-6-methylbenzene-1,3-diol
CID 84683345
2-ethenyl-4-methoxy-6-methyl-3-(methylamino)phenol
CID 165100560
5-ethenyl-3-methylbenzene-1,2-diol
CID 151306271
3-ethenyl-4,6-dimethylpyridin-2-amine
CID 74888687
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
2,4,6-tris(ethenyl)benzene-1,3,5-triol
CID 164702069
3-bromo-2-ethenyl-4-methylaniline
CID 154990614
6-amino-2,3-difluoro-4-methylphenol
CID 59444170
3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol
CID 144779247
3-ethenyl-2,5,6-trimethylphenol;methanol
CID 171080128

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-bis(ethenyl)-6-methylphenol?
The IUPAC name of 4-amino-2,3-bis(ethenyl)-6-methylphenol (CID 163302498) is 4-amino-2,3-bis(ethenyl)-6-methylphenol.
What is the SMILES notation for 4-amino-2,3-bis(ethenyl)-6-methylphenol?
The canonical SMILES for 4-amino-2,3-bis(ethenyl)-6-methylphenol is C=Cc1c(N)cc(C)c(O)c1C=C.
What is the InChIKey of 4-amino-2,3-bis(ethenyl)-6-methylphenol?
The InChIKey is ORCQNQXEYSAOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-4-8-9(5-2)11(13)7(3)6-10(8)12/h4-6,13H,1-2,12H2,3H3.
What are the key properties of 4-amino-2,3-bis(ethenyl)-6-methylphenol?
4-amino-2,3-bis(ethenyl)-6-methylphenol has a molecular weight of 175.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-bis(ethenyl)-6-methylphenol is sourced from PubChem (CID 163302498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).