2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane

C27H34BFO6 — CID 144813225

IUPAC2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane
SMILESCC1(C)OB(c2ccc(F)c3c2CCC3)OC1(C)C.COC.O=CCc1coc2cc(O)ccc12
InChIInChI=1S/C15H20BFO2.C10H8O3.C2H6O/c1-14(2)15(3,4)19-16(18-14)12-8-9-13(17)11-7-5-6-10(11)12;11-4-3-7-6-13-10-5-8(12)1-2-9(7)10;1-3-2/h8-9H,5-7H2,1-4H3;1-2,4-6,12H,3H2;1-2H3
InChIKeyYTCCBRFVDBWGFJ-UHFFFAOYSA-N
MW484.37 g/mol
LogP4.76
Rot. Bonds3

About 2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane

2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane (PubChem CID 144813225) has the molecular formula C27H34BFO6 and a molecular weight of 484.37 g/mol. Its IUPAC name is 2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane.

Molecular Properties

Compound Name2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane
PubChem CID144813225
Molecular FormulaC27H34BFO6
Molecular Weight484.37 g/mol
Exact Mass484.24
IUPAC Name2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane
SMILESCC1(C)OB(c2ccc(F)c3c2CCC3)OC1(C)C.COC.O=CCc1coc2cc(O)ccc12
InChIInChI=1S/C15H20BFO2.C10H8O3.C2H6O/c1-14(2)15(3,4)19-16(18-14)12-8-9-13(17)11-7-5-6-10(11)12;11-4-3-7-6-13-10-5-8(12)1-2-9(7)10;1-3-2/h8-9H,5-7H2,1-4H3;1-2,4-6,12H,3H2;1-2H3
InChIKeyYTCCBRFVDBWGFJ-UHFFFAOYSA-N
XLogP4.76
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane?
The IUPAC name of 2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane (CID 144813225) is 2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane.
What is the SMILES notation for 2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane?
The canonical SMILES for 2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane is CC1(C)OB(c2ccc(F)c3c2CCC3)OC1(C)C.COC.O=CCc1coc2cc(O)ccc12.
What is the InChIKey of 2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane?
The InChIKey is YTCCBRFVDBWGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BFO2.C10H8O3.C2H6O/c1-14(2)15(3,4)19-16(18-14)12-8-9-13(17)11-7-5-6-10(11)12;11-4-3-7-6-13-10-5-8(12)1-2-9(7)10;1-3-2/h8-9H,5-7H2,1-4H3;1-2,4-6,12H,3H2;1-2H3.
What are the key properties of 2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane?
2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane has a molecular weight of 484.37 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-hydroxy-1-benzofuran-3-yl)acetaldehyde;methoxymethane is sourced from PubChem (CID 144813225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).