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

C17H12ClFO4 — CID 7807157

IUPAC(2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCc1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFO4/c18-14-2-1-3-15(19)13(14)9-23-17(21)6-10-8-22-16-7-11(20)4-5-12(10)16/h1-5,7-8,20H,6,9H2
InChIKeyUJDLYISGVJXRGS-UHFFFAOYSA-N
MW334.73 g/mol
LogP4.22
Rot. Bonds4

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

(2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 7807157) has the molecular formula C17H12ClFO4 and a molecular weight of 334.73 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID7807157
Molecular FormulaC17H12ClFO4
Molecular Weight334.73 g/mol
Exact Mass334.04
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCc1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFO4/c18-14-2-1-3-15(19)13(14)9-23-17(21)6-10-8-22-16-7-11(20)4-5-12(10)16/h1-5,7-8,20H,6,9H2
InChIKeyUJDLYISGVJXRGS-UHFFFAOYSA-N
XLogP4.22
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-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-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 7807157) is (2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is O=C(Cc1coc2cc(O)ccc12)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is UJDLYISGVJXRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFO4/c18-14-2-1-3-15(19)13(14)9-23-17(21)6-10-8-22-16-7-11(20)4-5-12(10)16/h1-5,7-8,20H,6,9H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
(2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 334.73 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7807157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).