3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol

C15H14N2O3 — CID 163673475

IUPAC3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol
SMILESCc1ccc(O)c(C=Cc2ccc([N+](=O)[O-])cc2)c1N
InChIInChI=1S/C15H14N2O3/c1-10-2-9-14(18)13(15(10)16)8-5-11-3-6-12(7-4-11)17(19)20/h2-9,18H,16H2,1H3
InChIKeyJEOZIKUYQJTNFX-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.36
Rot. Bonds3

About 3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol

3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol (PubChem CID 163673475) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol.

Molecular Properties

Compound Name3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol
PubChem CID163673475
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol
SMILESCc1ccc(O)c(C=Cc2ccc([N+](=O)[O-])cc2)c1N
InChIInChI=1S/C15H14N2O3/c1-10-2-9-14(18)13(15(10)16)8-5-11-3-6-12(7-4-11)17(19)20/h2-9,18H,16H2,1H3
InChIKeyJEOZIKUYQJTNFX-UHFFFAOYSA-N
XLogP3.36
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740583
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1,3,5-trimethoxy-2,4,6-tris[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 15542576
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
1,2,3,4,5-pentafluoro-6-[2-(4-nitrophenyl)ethenyl]benzene
CID 73129158
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
ethyl 4-[2-(4-nitrophenyl)ethenyl]benzoate
CID 619973
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
2-methyl-4-nitrophenol;molecular nitrogen
CID 166479227
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
3,5-dimethyl-2-[(E)-3-(4-nitrophenyl)prop-2-enyl]phenol
CID 162361475

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol?
The IUPAC name of 3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol (CID 163673475) is 3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol.
What is the SMILES notation for 3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol?
The canonical SMILES for 3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol is Cc1ccc(O)c(C=Cc2ccc([N+](=O)[O-])cc2)c1N.
What is the InChIKey of 3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol?
The InChIKey is JEOZIKUYQJTNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-2-9-14(18)13(15(10)16)8-5-11-3-6-12(7-4-11)17(19)20/h2-9,18H,16H2,1H3.
What are the key properties of 3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol?
3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol has a molecular weight of 270.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol is sourced from PubChem (CID 163673475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).