4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran

C20H21FO2 — CID 141271180

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran
SMILESCC1(C)Cc2c(COc3ccc4c(c3)CCC4)cc(F)cc2O1
InChIInChI=1S/C20H21FO2/c1-20(2)11-18-15(8-16(21)10-19(18)23-20)12-22-17-7-6-13-4-3-5-14(13)9-17/h6-10H,3-5,11-12H2,1-2H3
InChIKeyDHFGALIACFMNBF-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.61
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran (PubChem CID 141271180) has the molecular formula C20H21FO2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran
PubChem CID141271180
Molecular FormulaC20H21FO2
Molecular Weight312.38 g/mol
Exact Mass312.15
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran
SMILESCC1(C)Cc2c(COc3ccc4c(c3)CCC4)cc(F)cc2O1
InChIInChI=1S/C20H21FO2/c1-20(2)11-18-15(8-16(21)10-19(18)23-20)12-22-17-7-6-13-4-3-5-14(13)9-17/h6-10H,3-5,11-12H2,1-2H3
InChIKeyDHFGALIACFMNBF-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran (CID 141271180) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran is CC1(C)Cc2c(COc3ccc4c(c3)CCC4)cc(F)cc2O1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is DHFGALIACFMNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO2/c1-20(2)11-18-15(8-16(21)10-19(18)23-20)12-22-17-7-6-13-4-3-5-14(13)9-17/h6-10H,3-5,11-12H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 312.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-6-fluoro-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 141271180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).