3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol

C19H17F3O3 — CID 122686391

IUPAC3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol
SMILESCOc1cc(CCCO)cc2cc(-c3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C19H17F3O3/c1-24-17-9-12(4-3-7-23)8-14-11-16(25-18(14)17)13-5-2-6-15(10-13)19(20,21)22/h2,5-6,8-11,23H,3-4,7H2,1H3
InChIKeyHWBLDMOKHCXIKO-UHFFFAOYSA-N
MW350.34 g/mol
LogP5.05
Rot. Bonds5

About 3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol

3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol (PubChem CID 122686391) has the molecular formula C19H17F3O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is 3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol
PubChem CID122686391
Molecular FormulaC19H17F3O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Name3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol
SMILESCOc1cc(CCCO)cc2cc(-c3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C19H17F3O3/c1-24-17-9-12(4-3-7-23)8-14-11-16(25-18(14)17)13-5-2-6-15(10-13)19(20,21)22/h2,5-6,8-11,23H,3-4,7H2,1H3
InChIKeyHWBLDMOKHCXIKO-UHFFFAOYSA-N
XLogP5.05
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.34
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170887677
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane
CID 6613423
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl 2-methylbutanoate
CID 14018768
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl formate
CID 44577177
3-methoxy-6-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134627212
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18225514
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584

Frequently Asked Questions

What is the IUPAC name of 3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol?
The IUPAC name of 3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol (CID 122686391) is 3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol.
What is the SMILES notation for 3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol?
The canonical SMILES for 3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol is COc1cc(CCCO)cc2cc(-c3cccc(C(F)(F)F)c3)oc12.
What is the InChIKey of 3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol?
The InChIKey is HWBLDMOKHCXIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O3/c1-24-17-9-12(4-3-7-23)8-14-11-16(25-18(14)17)13-5-2-6-15(10-13)19(20,21)22/h2,5-6,8-11,23H,3-4,7H2,1H3.
What are the key properties of 3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol?
3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol has a molecular weight of 350.34 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol is sourced from PubChem (CID 122686391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).