methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate

C17H13FO3 — CID 57239281

IUPACmethyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate
SMILESCOC(=O)c1c(F)cccc1-c1occ2cc(C)ccc12
InChIInChI=1S/C17H13FO3/c1-10-6-7-12-11(8-10)9-21-16(12)13-4-3-5-14(18)15(13)17(19)20-2/h3-9H,1-2H3
InChIKeyYEOVTXUFXVWVCZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP4.33
Rot. Bonds2

About methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate

methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate (PubChem CID 57239281) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate
PubChem CID57239281
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Namemethyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate
SMILESCOC(=O)c1c(F)cccc1-c1occ2cc(C)ccc12
InChIInChI=1S/C17H13FO3/c1-10-6-7-12-11(8-10)9-21-16(12)13-4-3-5-14(18)15(13)17(19)20-2/h3-9H,1-2H3
InChIKeyYEOVTXUFXVWVCZ-UHFFFAOYSA-N
XLogP4.33
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate 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

Tanshinone I
CID 114917
Furaprofen
CID 37801
Neo-tanshinlactone
CID 10264769
2-(6,7-Dimethyl-1-benzofuran-3-yl)acetic acid
CID 2113901
4,7-Dimethylbenzofuran
CID 33109
5,15-Dimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),4,11,13,15,17-heptaene-7,9-dione
CID 133561407
3-(Furan-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 270482
2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid
CID 10286274
(Z)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phenyl]-benzofuran-2-yl}-2-fluoro-but-2-enoic acid
CID 10204841
(E)-3-{7-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]-benzofuran-2-yl}-but-2-enoic acid
CID 10225147
(E)-3-{7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-benzofuran-2-yl}-but-2-enoic acid
CID 10226478
(E)-3-[7-(2-Ethoxy-3,5-diisopropyl-phenyl)-benzofuran-2-yl]-but-2-enoic acid
CID 10294771

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate?
The IUPAC name of methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate (CID 57239281) is methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate.
What is the SMILES notation for methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate?
The canonical SMILES for methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate is COC(=O)c1c(F)cccc1-c1occ2cc(C)ccc12.
What is the InChIKey of methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate?
The InChIKey is YEOVTXUFXVWVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO3/c1-10-6-7-12-11(8-10)9-21-16(12)13-4-3-5-14(18)15(13)17(19)20-2/h3-9H,1-2H3.
What are the key properties of methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate?
methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate has a molecular weight of 284.29 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-(5-methyl-2-benzofuran-1-yl)benzoate is sourced from PubChem (CID 57239281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).