2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol

C10H10INO4 — CID 2179477

IUPAC2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol
SMILESCCOc1cc(/C=C\[N+](=O)[O-])cc(I)c1O
InChIInChI=1S/C10H10INO4/c1-2-16-9-6-7(3-4-12(14)15)5-8(11)10(9)13/h3-6,13H,2H2,1H3/b4-3-
InChIKeyCXTWTQFEUFZRHZ-ARJAWSKDSA-N
MW335.10 g/mol
LogP2.64
Rot. Bonds4

About 2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol

2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol (PubChem CID 2179477) has the molecular formula C10H10INO4 and a molecular weight of 335.10 g/mol. Its IUPAC name is 2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol
PubChem CID2179477
Molecular FormulaC10H10INO4
Molecular Weight335.10 g/mol
Exact Mass334.97
IUPAC Name2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol
SMILESCCOc1cc(/C=C\[N+](=O)[O-])cc(I)c1O
InChIInChI=1S/C10H10INO4/c1-2-16-9-6-7(3-4-12(14)15)5-8(11)10(9)13/h3-6,13H,2H2,1H3/b4-3-
InChIKeyCXTWTQFEUFZRHZ-ARJAWSKDSA-N
XLogP2.64
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-6-methoxy-4-[(E)-2-nitroethenyl]phenol
CID 1494561
2-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-1-nitroguanidine
CID 135678871
1-ethoxy-2,3-dimethoxy-5-(2-nitroethenyl)benzene
CID 86250366
2-[(3,4-dichlorophenyl)methoxy]-1-ethoxy-3-iodo-5-[(Z)-2-nitroethenyl]benzene
CID 126093911
2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137152057
2-ethoxy-6-(2-nitroethenyl)phenol
CID 2758749
2-ethoxy-6-iodo-4-methylphenol
CID 131395873
2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-nitrophenol
CID 136911315
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 135589998
1-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-3-ethylthiourea
CID 137168386
1-ethoxy-3-(2-nitroethenyl)benzene
CID 76912992
1-[(3-chlorophenyl)methoxy]-2-ethoxy-4-[(E)-2-nitroethenyl]benzene
CID 6035841

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol?
The IUPAC name of 2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol (CID 2179477) is 2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol.
What is the SMILES notation for 2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol?
The canonical SMILES for 2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol is CCOc1cc(/C=C\[N+](=O)[O-])cc(I)c1O.
What is the InChIKey of 2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol?
The InChIKey is CXTWTQFEUFZRHZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H10INO4/c1-2-16-9-6-7(3-4-12(14)15)5-8(11)10(9)13/h3-6,13H,2H2,1H3/b4-3-.
What are the key properties of 2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol?
2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol has a molecular weight of 335.10 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-iodo-4-[(Z)-2-nitroethenyl]phenol is sourced from PubChem (CID 2179477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).