5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran

C16H15FO — CID 69297038

IUPAC5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1cccc(-c2cc(F)cc3c2OC(C)C3)c1
InChIInChI=1S/C16H15FO/c1-10-4-3-5-12(6-10)15-9-14(17)8-13-7-11(2)18-16(13)15/h3-6,8-9,11H,7H2,1-2H3
InChIKeyYLJXISHWKDKINI-UHFFFAOYSA-N
MW242.29 g/mol
LogP4.12
Rot. Bonds1

About 5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran

5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran (PubChem CID 69297038) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran
PubChem CID69297038
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1cccc(-c2cc(F)cc3c2OC(C)C3)c1
InChIInChI=1S/C16H15FO/c1-10-4-3-5-12(6-10)15-9-14(17)8-13-7-11(2)18-16(13)15/h3-6,8-9,11H,7H2,1-2H3
InChIKeyYLJXISHWKDKINI-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran (CID 69297038) is 5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran is Cc1cccc(-c2cc(F)cc3c2OC(C)C3)c1.
What is the InChIKey of 5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran?
The InChIKey is YLJXISHWKDKINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-10-4-3-5-12(6-10)15-9-14(17)8-13-7-11(2)18-16(13)15/h3-6,8-9,11H,7H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran?
5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran has a molecular weight of 242.29 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69297038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).