5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride

C12H8ClNO5 — CID 17274075

IUPAC5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride
SMILESCOc1ccc(-c2ccc(C(=O)Cl)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8ClNO5/c1-18-7-2-3-8(9(6-7)14(16)17)10-4-5-11(19-10)12(13)15/h2-6H,1H3
InChIKeySLAYLULWDXLSHU-UHFFFAOYSA-N
MW281.65 g/mol
LogP3.24
Rot. Bonds4

About 5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride

5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride (PubChem CID 17274075) has the molecular formula C12H8ClNO5 and a molecular weight of 281.65 g/mol. Its IUPAC name is 5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride.

Molecular Properties

Compound Name5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride
PubChem CID17274075
Molecular FormulaC12H8ClNO5
Molecular Weight281.65 g/mol
Exact Mass281.01
IUPAC Name5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride
SMILESCOc1ccc(-c2ccc(C(=O)Cl)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8ClNO5/c1-18-7-2-3-8(9(6-7)14(16)17)10-4-5-11(19-10)12(13)15/h2-6H,1H3
InChIKeySLAYLULWDXLSHU-UHFFFAOYSA-N
XLogP3.24
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.65
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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

5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119
N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 7465174
5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 7465117
3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enoic acid
CID 53395882
5-(4-ethoxy-2-nitrophenyl)furan-2-carboxylic acid
CID 56736978
N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840667
2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 40567403
N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840683
2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 4910648
5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride
CID 23009302
N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840692
methyl 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 43840710

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride?
The IUPAC name of 5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride (CID 17274075) is 5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride.
What is the SMILES notation for 5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride?
The canonical SMILES for 5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride is COc1ccc(-c2ccc(C(=O)Cl)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride?
The InChIKey is SLAYLULWDXLSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO5/c1-18-7-2-3-8(9(6-7)14(16)17)10-4-5-11(19-10)12(13)15/h2-6H,1H3.
What are the key properties of 5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride?
5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride has a molecular weight of 281.65 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride is sourced from PubChem (CID 17274075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).