bis(2,3-dihydro-1-benzofuran-3-yl)methanone

C17H14O3 — CID 174352835

IUPACbis(2,3-dihydro-1-benzofuran-3-yl)methanone
SMILESO=C(C1COc2ccccc21)C1COc2ccccc21
InChIInChI=1S/C17H14O3/c18-17(13-9-19-15-7-3-1-5-11(13)15)14-10-20-16-8-4-2-6-12(14)16/h1-8,13-14H,9-10H2
InChIKeyVZXZNPDMDIGXCF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.91
Rot. Bonds2

About bis(2,3-dihydro-1-benzofuran-3-yl)methanone

bis(2,3-dihydro-1-benzofuran-3-yl)methanone (PubChem CID 174352835) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is bis(2,3-dihydro-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Namebis(2,3-dihydro-1-benzofuran-3-yl)methanone
PubChem CID174352835
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Namebis(2,3-dihydro-1-benzofuran-3-yl)methanone
SMILESO=C(C1COc2ccccc21)C1COc2ccccc21
InChIInChI=1S/C17H14O3/c18-17(13-9-19-15-7-3-1-5-11(13)15)14-10-20-16-8-4-2-6-12(14)16/h1-8,13-14H,9-10H2
InChIKeyVZXZNPDMDIGXCF-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone
CID 102651090
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-one
CID 114473710
(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 99808270
1-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124636976
(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124734322
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058
2,3-dihydro-1-benzofuran-3-ol
CID 585896
butyl 2,3-dihydro-1-benzofuran-3-carboxylate
CID 78960804
N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536
2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid
CID 107434626
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681616

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydro-1-benzofuran-3-yl)methanone?
The IUPAC name of bis(2,3-dihydro-1-benzofuran-3-yl)methanone (CID 174352835) is bis(2,3-dihydro-1-benzofuran-3-yl)methanone.
What is the SMILES notation for bis(2,3-dihydro-1-benzofuran-3-yl)methanone?
The canonical SMILES for bis(2,3-dihydro-1-benzofuran-3-yl)methanone is O=C(C1COc2ccccc21)C1COc2ccccc21.
What is the InChIKey of bis(2,3-dihydro-1-benzofuran-3-yl)methanone?
The InChIKey is VZXZNPDMDIGXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-17(13-9-19-15-7-3-1-5-11(13)15)14-10-20-16-8-4-2-6-12(14)16/h1-8,13-14H,9-10H2.
What are the key properties of bis(2,3-dihydro-1-benzofuran-3-yl)methanone?
bis(2,3-dihydro-1-benzofuran-3-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydro-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 174352835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).