1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone

C16H13FO2 — CID 63019690

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H13FO2/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8H,7,9-10H2
InChIKeyZABNHFDTRYOXOO-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.28
Rot. Bonds3

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 63019690) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
PubChem CID63019690
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H13FO2/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8H,7,9-10H2
InChIKeyZABNHFDTRYOXOO-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone
CID 114974112
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334
2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 63020393
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576
1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 46881771
2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 75383989
1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
CID 25187486
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylpent-4-en-1-one
CID 115802815
1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone
CID 63731843
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
CID 63743858

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone (CID 63019690) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is ZABNHFDTRYOXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8H,7,9-10H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 256.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 63019690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).