4-methoxy-3-(3-nitrophenyl)benzoyl chloride

C14H10ClNO4 — CID 118072392

IUPAC4-methoxy-3-(3-nitrophenyl)benzoyl chloride
SMILESCOc1ccc(C(=O)Cl)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClNO4/c1-20-13-6-5-10(14(15)17)8-12(13)9-3-2-4-11(7-9)16(18)19/h2-8H,1H3
InChIKeyJFLONWJGKCFGSO-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.65
Rot. Bonds4

About 4-methoxy-3-(3-nitrophenyl)benzoyl chloride

4-methoxy-3-(3-nitrophenyl)benzoyl chloride (PubChem CID 118072392) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 4-methoxy-3-(3-nitrophenyl)benzoyl chloride.

Molecular Properties

Compound Name4-methoxy-3-(3-nitrophenyl)benzoyl chloride
PubChem CID118072392
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name4-methoxy-3-(3-nitrophenyl)benzoyl chloride
SMILESCOc1ccc(C(=O)Cl)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClNO4/c1-20-13-6-5-10(14(15)17)8-12(13)9-3-2-4-11(7-9)16(18)19/h2-8H,1H3
InChIKeyJFLONWJGKCFGSO-UHFFFAOYSA-N
XLogP3.65
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
CID 18476102
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
3-methoxy-4-(3-nitrophenyl)phenol
CID 24767500
2-[4-methoxy-3-(3-nitrophenyl)phenyl]acetonitrile
CID 68788538
2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol
CID 68788738
1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 58020009
3-[4-methoxy-3-(3-nitrophenyl)phenyl]butan-1-amine
CID 82542490
methyl 2-(3-nitrophenyl)benzoate
CID 11708670
methyl 5-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxo-1H-pyridine-2-carboxylate
CID 68786234
N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 68790949
4-methoxy-7-(3-nitrophenyl)-1,3-benzothiazole
CID 141045285

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-nitrophenyl)benzoyl chloride?
The IUPAC name of 4-methoxy-3-(3-nitrophenyl)benzoyl chloride (CID 118072392) is 4-methoxy-3-(3-nitrophenyl)benzoyl chloride.
What is the SMILES notation for 4-methoxy-3-(3-nitrophenyl)benzoyl chloride?
The canonical SMILES for 4-methoxy-3-(3-nitrophenyl)benzoyl chloride is COc1ccc(C(=O)Cl)cc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-3-(3-nitrophenyl)benzoyl chloride?
The InChIKey is JFLONWJGKCFGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c1-20-13-6-5-10(14(15)17)8-12(13)9-3-2-4-11(7-9)16(18)19/h2-8H,1H3.
What are the key properties of 4-methoxy-3-(3-nitrophenyl)benzoyl chloride?
4-methoxy-3-(3-nitrophenyl)benzoyl chloride has a molecular weight of 291.69 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-nitrophenyl)benzoyl chloride is sourced from PubChem (CID 118072392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).