7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran

C16H15FO2 — CID 69108617

IUPAC7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc(-c2cc(F)c3c(c2)CC(C)O3)cc1
InChIInChI=1S/C16H15FO2/c1-10-7-13-8-12(9-15(17)16(13)19-10)11-3-5-14(18-2)6-4-11/h3-6,8-10H,7H2,1-2H3
InChIKeyCFSJRCGRMVVXTN-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.82
Rot. Bonds2

About 7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran

7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 69108617) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID69108617
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc(-c2cc(F)c3c(c2)CC(C)O3)cc1
InChIInChI=1S/C16H15FO2/c1-10-7-13-8-12(9-15(17)16(13)19-10)11-3-5-14(18-2)6-4-11/h3-6,8-10H,7H2,1-2H3
InChIKeyCFSJRCGRMVVXTN-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran (CID 69108617) is 7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran is COc1ccc(-c2cc(F)c3c(c2)CC(C)O3)cc1.
What is the InChIKey of 7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is CFSJRCGRMVVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-10-7-13-8-12(9-15(17)16(13)19-10)11-3-5-14(18-2)6-4-11/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 258.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69108617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).