2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol

C16H15NO3 — CID 68740583

IUPAC2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol
SMILESCc1cc(C=Cc2ccc([N+](=O)[O-])cc2)cc(C)c1O
InChIInChI=1S/C16H15NO3/c1-11-9-14(10-12(2)16(11)18)4-3-13-5-7-15(8-6-13)17(19)20/h3-10,18H,1-2H3
InChIKeyJQVXKRUZIJNWAK-UHFFFAOYSA-N
MW269.30 g/mol
LogP4.09
Rot. Bonds3

About 2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol

2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol (PubChem CID 68740583) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol
PubChem CID68740583
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol
SMILESCc1cc(C=Cc2ccc([N+](=O)[O-])cc2)cc(C)c1O
InChIInChI=1S/C16H15NO3/c1-11-9-14(10-12(2)16(11)18)4-3-13-5-7-15(8-6-13)17(19)20/h3-10,18H,1-2H3
InChIKeyJQVXKRUZIJNWAK-UHFFFAOYSA-N
XLogP4.09
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
2,6-dimethyl-4-[(E)-2-(5-nitro-1,3-benzoxazol-2-yl)ethenyl]phenol
CID 135689520
2-bromo-6-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740130
(4-nitrophenyl) 3-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]naphthalene-2-carboxylate
CID 77482241
3,5-dimethyl-2-[(E)-3-(4-nitrophenyl)prop-2-enyl]phenol
CID 162361475
3-amino-4-methyl-2-[2-(4-nitrophenyl)ethenyl]phenol
CID 163673475
2,6-dimethyl-4-nitrophenol;ethane;methane
CID 143297334
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
(4-nitrophenyl) 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]naphthalene-2-carboxylate
CID 77482610
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol (CID 68740583) is 2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol is Cc1cc(C=Cc2ccc([N+](=O)[O-])cc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol?
The InChIKey is JQVXKRUZIJNWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-9-14(10-12(2)16(11)18)4-3-13-5-7-15(8-6-13)17(19)20/h3-10,18H,1-2H3.
What are the key properties of 2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol?
2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol has a molecular weight of 269.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol is sourced from PubChem (CID 68740583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).