7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran

C16H13FO2 — CID 117181030

IUPAC7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran
SMILESCc1ccccc1OCc1coc2c(F)cccc12
InChIInChI=1S/C16H13FO2/c1-11-5-2-3-8-15(11)18-9-12-10-19-16-13(12)6-4-7-14(16)17/h2-8,10H,9H2,1H3
InChIKeyHPUSVIRESCCQAP-UHFFFAOYSA-N
MW256.28 g/mol
LogP4.46
Rot. Bonds3

About 7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran

7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran (PubChem CID 117181030) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran
PubChem CID117181030
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran
SMILESCc1ccccc1OCc1coc2c(F)cccc12
InChIInChI=1S/C16H13FO2/c1-11-5-2-3-8-15(11)18-9-12-10-19-16-13(12)6-4-7-14(16)17/h2-8,10H,9H2,1H3
InChIKeyHPUSVIRESCCQAP-UHFFFAOYSA-N
XLogP4.46
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180945
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117170334
7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117181081
3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran
CID 117186097
3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol
CID 117174239
3-[(2-methylphenoxy)methyl]-1-benzofuran-5-carboxylic acid
CID 117174375
4-fluoro-3-[(2-methylphenoxy)methyl]-1-benzothiophene
CID 117170884
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
3-methyl-7-phenylmethoxy-1-benzofuran
CID 126750980
7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117181095
6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117177608

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran?
The IUPAC name of 7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran (CID 117181030) is 7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran?
The canonical SMILES for 7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran is Cc1ccccc1OCc1coc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran?
The InChIKey is HPUSVIRESCCQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-11-5-2-3-8-15(11)18-9-12-10-19-16-13(12)6-4-7-14(16)17/h2-8,10H,9H2,1H3.
What are the key properties of 7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran?
7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran has a molecular weight of 256.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117181030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).