2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol

C16H14F2O2 — CID 82920238

IUPAC2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)C1Cc2ccccc2O1
InChIInChI=1S/C16H14F2O2/c17-12-6-5-10(7-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h1-7,14,16,19H,8-9H2
InChIKeyMQPNWOPSODTSPQ-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.87
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol

2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol (PubChem CID 82920238) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol
PubChem CID82920238
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)C1Cc2ccccc2O1
InChIInChI=1S/C16H14F2O2/c17-12-6-5-10(7-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h1-7,14,16,19H,8-9H2
InChIKeyMQPNWOPSODTSPQ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61100439
(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61081025
2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 114822937
1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107048079
3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
CID 114192029
2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 115819396
2-(3,4-difluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 82919753
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 64986319
2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 105405677
2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 115806040
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 79747393
2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol
CID 104738109

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol (CID 82920238) is 2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol is OC(Cc1ccc(F)c(F)c1)C1Cc2ccccc2O1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol?
The InChIKey is MQPNWOPSODTSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c17-12-6-5-10(7-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h1-7,14,16,19H,8-9H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol?
2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol has a molecular weight of 276.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 82920238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).