2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol

C16H14ClFO2 — CID 63019201

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
SMILESOC(Cc1c(F)cccc1Cl)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14ClFO2/c17-14-2-1-3-15(18)13(14)7-16(19)10-4-5-11-8-20-9-12(11)6-10/h1-6,16,19H,7-9H2
InChIKeyQRMHDBMEPJZKMK-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.79
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol (PubChem CID 63019201) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
PubChem CID63019201
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
SMILESOC(Cc1c(F)cccc1Cl)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14ClFO2/c17-14-2-1-3-15(18)13(14)7-16(19)10-4-5-11-8-20-9-12(11)6-10/h1-6,16,19H,7-9H2
InChIKeyQRMHDBMEPJZKMK-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
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
2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 105412803
(2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81461442
2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol
CID 79691005
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol
CID 63021652
2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol
CID 63410788
(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 107477204
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 114982296

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol (CID 63019201) is 2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol is OC(Cc1c(F)cccc1Cl)c1ccc2c(c1)COC2.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The InChIKey is QRMHDBMEPJZKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c17-14-2-1-3-15(18)13(14)7-16(19)10-4-5-11-8-20-9-12(11)6-10/h1-6,16,19H,7-9H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol has a molecular weight of 292.74 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol is sourced from PubChem (CID 63019201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).