(2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

C18H14ClFO4 — CID 2538683

IUPAC(2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3c(F)cccc3Cl)coc2c1
InChIInChI=1S/C18H14ClFO4/c1-22-12-5-6-13-11(9-23-17(13)8-12)7-18(21)24-10-14-15(19)3-2-4-16(14)20/h2-6,8-9H,7,10H2,1H3
InChIKeyHFASCELMMXNQCJ-UHFFFAOYSA-N
MW348.76 g/mol
LogP4.52
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

(2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 2538683) has the molecular formula C18H14ClFO4 and a molecular weight of 348.76 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID2538683
Molecular FormulaC18H14ClFO4
Molecular Weight348.76 g/mol
Exact Mass348.06
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3c(F)cccc3Cl)coc2c1
InChIInChI=1S/C18H14ClFO4/c1-22-12-5-6-13-11(9-23-17(13)8-12)7-18(21)24-10-14-15(19)3-2-4-16(14)20/h2-6,8-9H,7,10H2,1H3
InChIKeyHFASCELMMXNQCJ-UHFFFAOYSA-N
XLogP4.52
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 2538683) is (2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCc3c(F)cccc3Cl)coc2c1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is HFASCELMMXNQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFO4/c1-22-12-5-6-13-11(9-23-17(13)8-12)7-18(21)24-10-14-15(19)3-2-4-16(14)20/h2-6,8-9H,7,10H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
(2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 348.76 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 2538683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).