(4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

C19H20O2 — CID 63730810

IUPAC(4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESCCC(C)c1ccc(C(=O)c2ccc3c(c2)COC3)cc1
InChIInChI=1S/C19H20O2/c1-3-13(2)14-4-6-15(7-5-14)19(20)16-8-9-17-11-21-12-18(17)10-16/h4-10,13H,3,11-12H2,1-2H3
InChIKeyIEGCETIJGSUHIU-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.46
Rot. Bonds4

About (4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

(4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (PubChem CID 63730810) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
PubChem CID63730810
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESCCC(C)c1ccc(C(=O)c2ccc3c(c2)COC3)cc1
InChIInChI=1S/C19H20O2/c1-3-13(2)14-4-6-15(7-5-14)19(20)16-8-9-17-11-21-12-18(17)10-16/h4-10,13H,3,11-12H2,1-2H3
InChIKeyIEGCETIJGSUHIU-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
CID 63021603
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82874721
1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one
CID 63021260
(4-butan-2-ylphenyl)-(furan-3-yl)methanone
CID 43462695
(3-bromo-4-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 107949643
(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone
CID 116917421
(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337814
1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
CID 115785102
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone
CID 114972403
(5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63020563
2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
CID 83154271

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The IUPAC name of (4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (CID 63730810) is (4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.
What is the SMILES notation for (4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The canonical SMILES for (4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is CCC(C)c1ccc(C(=O)c2ccc3c(c2)COC3)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The InChIKey is IEGCETIJGSUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-13(2)14-4-6-15(7-5-14)19(20)16-8-9-17-11-21-12-18(17)10-16/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of (4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
(4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is sourced from PubChem (CID 63730810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).