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

C18H18O2 — CID 63021603

IUPAC1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc3c(c2)COC3)cc1
InChIInChI=1S/C18H18O2/c1-12(2)13-3-5-14(6-4-13)18(19)15-7-8-16-10-20-11-17(16)9-15/h3-9,12H,10-11H2,1-2H3
InChIKeyDVFJPPOIEOCOTL-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.07
Rot. Bonds3

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

1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone (PubChem CID 63021603) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
PubChem CID63021603
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc3c(c2)COC3)cc1
InChIInChI=1S/C18H18O2/c1-12(2)13-3-5-14(6-4-13)18(19)15-7-8-16-10-20-11-17(16)9-15/h3-9,12H,10-11H2,1-2H3
InChIKeyDVFJPPOIEOCOTL-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63730810
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
CID 83154271
1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
CID 63021429
N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63733677
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
CID 66469631
1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone
CID 63731843
1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
CID 115785102
1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
CID 63019871
(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 82814438
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-methylbutanoic acid
CID 63733070

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone (CID 63021603) is 1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2ccc3c(c2)COC3)cc1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone?
The InChIKey is DVFJPPOIEOCOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12(2)13-3-5-14(6-4-13)18(19)15-7-8-16-10-20-11-17(16)9-15/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone?
1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone has a molecular weight of 266.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 63021603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).