2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol

C16H14F2O2 — CID 105412803

IUPAC2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
SMILESOC(Cc1cc(F)cc(F)c1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14F2O2/c17-14-3-10(4-15(18)7-14)5-16(19)11-1-2-12-8-20-9-13(12)6-11/h1-4,6-7,16,19H,5,8-9H2
InChIKeyGIOGCDRGZYXVJJ-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.27
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol

2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol (PubChem CID 105412803) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
PubChem CID105412803
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
SMILESOC(Cc1cc(F)cc(F)c1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14F2O2/c17-14-3-10(4-15(18)7-14)5-16(19)11-1-2-12-8-20-9-13(12)6-11/h1-4,6-7,16,19H,5,8-9H2
InChIKeyGIOGCDRGZYXVJJ-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 115839714
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol
CID 63021652
2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 63019201
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 63020265
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813815
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63020068
2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
CID 62800447
1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol
CID 115803705
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 65023088

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol (CID 105412803) is 2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol is OC(Cc1cc(F)cc(F)c1)c1ccc2c(c1)COC2.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The InChIKey is GIOGCDRGZYXVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c17-14-3-10(4-15(18)7-14)5-16(19)11-1-2-12-8-20-9-13(12)6-11/h1-4,6-7,16,19H,5,8-9H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol has a molecular weight of 276.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol is sourced from PubChem (CID 105412803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).