4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride

C17H13ClF4O4 — CID 18346503

IUPAC4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride
SMILESCCOc1c(F)c(F)c(COc2ccc(C(=O)Cl)cc2OC)c(F)c1F
InChIInChI=1S/C17H13ClF4O4/c1-3-25-16-14(21)12(19)9(13(20)15(16)22)7-26-10-5-4-8(17(18)23)6-11(10)24-2/h4-6H,3,7H2,1-2H3
InChIKeyWQSWJJIERVVHMW-UHFFFAOYSA-N
MW392.73 g/mol
LogP4.61
Rot. Bonds7

About 4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride

4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride (PubChem CID 18346503) has the molecular formula C17H13ClF4O4 and a molecular weight of 392.73 g/mol. Its IUPAC name is 4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride.

Molecular Properties

Compound Name4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride
PubChem CID18346503
Molecular FormulaC17H13ClF4O4
Molecular Weight392.73 g/mol
Exact Mass392.04
IUPAC Name4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride
SMILESCCOc1c(F)c(F)c(COc2ccc(C(=O)Cl)cc2OC)c(F)c1F
InChIInChI=1S/C17H13ClF4O4/c1-3-25-16-14(21)12(19)9(13(20)15(16)22)7-26-10-5-4-8(17(18)23)6-11(10)24-2/h4-6H,3,7H2,1-2H3
InChIKeyWQSWJJIERVVHMW-UHFFFAOYSA-N
XLogP4.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.73
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride?
The IUPAC name of 4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride (CID 18346503) is 4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride.
What is the SMILES notation for 4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride?
The canonical SMILES for 4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride is CCOc1c(F)c(F)c(COc2ccc(C(=O)Cl)cc2OC)c(F)c1F.
What is the InChIKey of 4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride?
The InChIKey is WQSWJJIERVVHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF4O4/c1-3-25-16-14(21)12(19)9(13(20)15(16)22)7-26-10-5-4-8(17(18)23)6-11(10)24-2/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride?
4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride has a molecular weight of 392.73 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride is sourced from PubChem (CID 18346503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).