(4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone

C17H11F3O3 — CID 139050398

IUPAC(4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone
SMILESO=C(c1ccc(O)cc1)c1c(CC(F)(F)F)oc2ccccc12
InChIInChI=1S/C17H11F3O3/c18-17(19,20)9-14-15(12-3-1-2-4-13(12)23-14)16(22)10-5-7-11(21)8-6-10/h1-8,21H,9H2
InChIKeyZRTNFUPVPKRMEX-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.47
Rot. Bonds3

About (4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone

(4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone (PubChem CID 139050398) has the molecular formula C17H11F3O3 and a molecular weight of 320.27 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone
PubChem CID139050398
Molecular FormulaC17H11F3O3
Molecular Weight320.27 g/mol
Exact Mass320.07
IUPAC Name(4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone
SMILESO=C(c1ccc(O)cc1)c1c(CC(F)(F)F)oc2ccccc12
InChIInChI=1S/C17H11F3O3/c18-17(19,20)9-14-15(12-3-1-2-4-13(12)23-14)16(22)10-5-7-11(21)8-6-10/h1-8,21H,9H2
InChIKeyZRTNFUPVPKRMEX-UHFFFAOYSA-N
XLogP4.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid
CID 142253801
[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone
CID 21435284
(4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 63498188
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
[2-(3-bromopropyl)-1-benzofuran-3-yl]-phenylmethanone
CID 11645865
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
(4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone
CID 137124147
2-[(3,3,3-trifluoropropylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103250348
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone;molecular hydrogen
CID 158208246
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
(3-chloro-4-iodophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 103219720
[2-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-yl]-phenylmethanone
CID 139050102

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone (CID 139050398) is (4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone is O=C(c1ccc(O)cc1)c1c(CC(F)(F)F)oc2ccccc12.
What is the InChIKey of (4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone?
The InChIKey is ZRTNFUPVPKRMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3O3/c18-17(19,20)9-14-15(12-3-1-2-4-13(12)23-14)16(22)10-5-7-11(21)8-6-10/h1-8,21H,9H2.
What are the key properties of (4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone?
(4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone has a molecular weight of 320.27 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone is sourced from PubChem (CID 139050398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).