2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol

C10H10BrNO4 — CID 5290152

IUPAC2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol
SMILESCOc1cc(/C=C(\C)[N+](=O)[O-])cc(Br)c1O
InChIInChI=1S/C10H10BrNO4/c1-6(12(14)15)3-7-4-8(11)10(13)9(5-7)16-2/h3-5,13H,1-2H3/b6-3+
InChIKeyQLYHSPFQXJQEPS-ZZXKWVIFSA-N
MW288.10 g/mol
LogP2.80
Rot. Bonds3

About 2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol

2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol (PubChem CID 5290152) has the molecular formula C10H10BrNO4 and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol
PubChem CID5290152
Molecular FormulaC10H10BrNO4
Molecular Weight288.10 g/mol
Exact Mass286.98
IUPAC Name2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol
SMILESCOc1cc(/C=C(\C)[N+](=O)[O-])cc(Br)c1O
InChIInChI=1S/C10H10BrNO4/c1-6(12(14)15)3-7-4-8(11)10(13)9(5-7)16-2/h3-5,13H,1-2H3/b6-3+
InChIKeyQLYHSPFQXJQEPS-ZZXKWVIFSA-N
XLogP2.80
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-methoxy-4-(2-nitrobut-1-enyl)phenol
CID 868570
1-bromo-4,5-dimethoxy-2-[(E)-2-nitroprop-1-enyl]benzene
CID 6150063
1,3-dimethoxy-5-(2-nitroprop-1-enyl)-2-propan-2-yloxybenzene
CID 86212882
2-bromo-6-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740130
[2-methoxy-4-(2-nitroprop-1-enyl)phenyl] acetate
CID 4223737
3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enal
CID 79331501
2-methoxy-4-[(Z)-2-nitroprop-1-enyl]-1-propan-2-yloxybenzene
CID 55016683
2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 5375208
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 735789
2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene
CID 5374508
5-bromo-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]pyridine
CID 146273679
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135683422

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol (CID 5290152) is 2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol is COc1cc(/C=C(\C)[N+](=O)[O-])cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol?
The InChIKey is QLYHSPFQXJQEPS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H10BrNO4/c1-6(12(14)15)3-7-4-8(11)10(13)9(5-7)16-2/h3-5,13H,1-2H3/b6-3+.
What are the key properties of 2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol?
2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol has a molecular weight of 288.10 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(E)-2-nitroprop-1-enyl]phenol is sourced from PubChem (CID 5290152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).