3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride

C16H13Cl2FO3 — CID 91682346

IUPAC3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride
SMILESCCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H13Cl2FO3/c1-2-21-14-8-11(16(18)20)7-13(17)15(14)22-9-10-3-5-12(19)6-4-10/h3-8H,2,9H2,1H3
InChIKeyZPDQSCVBBZBIPY-UHFFFAOYSA-N
MW343.18 g/mol
LogP4.84
Rot. Bonds6

About 3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride

3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride (PubChem CID 91682346) has the molecular formula C16H13Cl2FO3 and a molecular weight of 343.18 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride
PubChem CID91682346
Molecular FormulaC16H13Cl2FO3
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC Name3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride
SMILESCCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H13Cl2FO3/c1-2-21-14-8-11(16(18)20)7-13(17)15(14)22-9-10-3-5-12(19)6-4-10/h3-8H,2,9H2,1H3
InChIKeyZPDQSCVBBZBIPY-UHFFFAOYSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
CID 91682357
3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide
CID 70790010
methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682250
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4716543
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 8706924
4-[[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 17295331
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoic acid
CID 91682258
2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol
CID 2200261
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoyl chloride
CID 91682344
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzenecarbothioamide
CID 22679888
3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]benzoyl chloride
CID 91682361
3-chloro-5-ethoxy-4-phenylmethoxybenzenecarbothioamide
CID 22685956

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride?
The IUPAC name of 3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride (CID 91682346) is 3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride.
What is the SMILES notation for 3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride?
The canonical SMILES for 3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride is CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(F)cc1.
What is the InChIKey of 3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride?
The InChIKey is ZPDQSCVBBZBIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO3/c1-2-21-14-8-11(16(18)20)7-13(17)15(14)22-9-10-3-5-12(19)6-4-10/h3-8H,2,9H2,1H3.
What are the key properties of 3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride?
3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride has a molecular weight of 343.18 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride is sourced from PubChem (CID 91682346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).