(3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate

C20H21FO5 — CID 7855710

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SMILESCOc1ccc(COC(=O)COc2cccc3c2OC(C)(C)C3)cc1F
InChIInChI=1S/C20H21FO5/c1-20(2)10-14-5-4-6-17(19(14)26-20)24-12-18(22)25-11-13-7-8-16(23-3)15(21)9-13/h4-9H,10-12H2,1-3H3
InChIKeyUXCSCQFCOADGHX-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.67
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate

(3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate (PubChem CID 7855710) has the molecular formula C20H21FO5 and a molecular weight of 360.38 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
PubChem CID7855710
Molecular FormulaC20H21FO5
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SMILESCOc1ccc(COC(=O)COc2cccc3c2OC(C)(C)C3)cc1F
InChIInChI=1S/C20H21FO5/c1-20(2)10-14-5-4-6-17(19(14)26-20)24-12-18(22)25-11-13-7-8-16(23-3)15(21)9-13/h4-9H,10-12H2,1-3H3
InChIKeyUXCSCQFCOADGHX-UHFFFAOYSA-N
XLogP3.67
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855738
[2-(2-fluoroanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855788
(7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 9328528
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 30474468
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
(2-morpholin-4-yl-2-oxoethyl) 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855749
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855707
methyl 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoate
CID 24818301
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855713
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 9328493

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate (CID 7855710) is (3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate is COc1ccc(COC(=O)COc2cccc3c2OC(C)(C)C3)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?
The InChIKey is UXCSCQFCOADGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO5/c1-20(2)10-14-5-4-6-17(19(14)26-20)24-12-18(22)25-11-13-7-8-16(23-3)15(21)9-13/h4-9H,10-12H2,1-3H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?
(3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate has a molecular weight of 360.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate is sourced from PubChem (CID 7855710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).