(4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol

C21H14ClFO2 — CID 46914657

IUPAC(4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol
SMILESOC(c1ccc(Cl)cc1)c1c(-c2ccccc2)oc2ccc(F)cc12
InChIInChI=1S/C21H14ClFO2/c22-15-8-6-13(7-9-15)20(24)19-17-12-16(23)10-11-18(17)25-21(19)14-4-2-1-3-5-14/h1-12,20,24H
InChIKeyRMDAIOOCFFIUTF-UHFFFAOYSA-N
MW352.79 g/mol
LogP5.97
Rot. Bonds3

About (4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol

(4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol (PubChem CID 46914657) has the molecular formula C21H14ClFO2 and a molecular weight of 352.79 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol
PubChem CID46914657
Molecular FormulaC21H14ClFO2
Molecular Weight352.79 g/mol
Exact Mass352.07
IUPAC Name(4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol
SMILESOC(c1ccc(Cl)cc1)c1c(-c2ccccc2)oc2ccc(F)cc12
InChIInChI=1S/C21H14ClFO2/c22-15-8-6-13(7-9-15)20(24)19-17-12-16(23)10-11-18(17)25-21(19)14-4-2-1-3-5-14/h1-12,20,24H
InChIKeyRMDAIOOCFFIUTF-UHFFFAOYSA-N
XLogP5.97
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.79
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol (CID 46914657) is (4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol is OC(c1ccc(Cl)cc1)c1c(-c2ccccc2)oc2ccc(F)cc12.
What is the InChIKey of (4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol?
The InChIKey is RMDAIOOCFFIUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFO2/c22-15-8-6-13(7-9-15)20(24)19-17-12-16(23)10-11-18(17)25-21(19)14-4-2-1-3-5-14/h1-12,20,24H.
What are the key properties of (4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol?
(4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol has a molecular weight of 352.79 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-fluoro-2-phenyl-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 46914657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).