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

C16H14ClFO2 — CID 103048326

IUPAC2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)C1COc2ccccc21
InChIInChI=1S/C16H14ClFO2/c17-11-5-6-14(18)10(7-11)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,13,15,19H,8-9H2
InChIKeyHTDTXMCEHMDXDN-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.56
Rot. Bonds3

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

2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol (PubChem CID 103048326) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol
PubChem CID103048326
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)C1COc2ccccc21
InChIInChI=1S/C16H14ClFO2/c17-11-5-6-14(18)10(7-11)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,13,15,19H,8-9H2
InChIKeyHTDTXMCEHMDXDN-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol (CID 103048326) is 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol is OC(Cc1cc(Cl)ccc1F)C1COc2ccccc21.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol?
The InChIKey is HTDTXMCEHMDXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c17-11-5-6-14(18)10(7-11)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,13,15,19H,8-9H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol?
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol has a molecular weight of 292.74 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethanol is sourced from PubChem (CID 103048326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).