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

C16H14ClFO2 — CID 115839714

IUPAC2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14ClFO2/c17-14-4-3-10(15(18)7-14)6-16(19)11-1-2-12-8-20-9-13(12)5-11/h1-5,7,16,19H,6,8-9H2
InChIKeyRYZMDFMULLVXJS-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.79
Rot. Bonds3

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

2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol (PubChem CID 115839714) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
PubChem CID115839714
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14ClFO2/c17-14-4-3-10(15(18)7-14)6-16(19)11-1-2-12-8-20-9-13(12)5-11/h1-5,7,16,19H,6,8-9H2
InChIKeyRYZMDFMULLVXJS-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-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 63019201
2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 105412803
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol
CID 114851952
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 63021612
2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 114852064
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 103047606
(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 107477204
1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 63018999
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol
CID 65186364

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol (CID 115839714) is 2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol is OC(Cc1ccc(Cl)cc1F)c1ccc2c(c1)COC2.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The InChIKey is RYZMDFMULLVXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c17-14-4-3-10(15(18)7-14)6-16(19)11-1-2-12-8-20-9-13(12)5-11/h1-5,7,16,19H,6,8-9H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
2-(4-chloro-2-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-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol is sourced from PubChem (CID 115839714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).