1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol

C18H17FO2 — CID 114726568

IUPAC1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)c1cc2ccccc2o1
InChIInChI=1S/C18H17FO2/c1-18(2,13-7-9-14(19)10-8-13)17(20)16-11-12-5-3-4-6-15(12)21-16/h3-11,17,20H,1-2H3
InChIKeyRNGOYJRCZGVEHH-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.58
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol

1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 114726568) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
PubChem CID114726568
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)c1cc2ccccc2o1
InChIInChI=1S/C18H17FO2/c1-18(2,13-7-9-14(19)10-8-13)17(20)16-11-12-5-3-4-6-15(12)21-16/h3-11,17,20H,1-2H3
InChIKeyRNGOYJRCZGVEHH-UHFFFAOYSA-N
XLogP4.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 114728507
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
1-benzofuran-2-yl-(3,4-difluorophenyl)methanol
CID 63089375
1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 114726874
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 82805523
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol
CID 115836093
1-(1-benzofuran-2-yl)but-2-en-1-ol
CID 150085441
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol (CID 114726568) is 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol is CC(C)(c1ccc(F)cc1)C(O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is RNGOYJRCZGVEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-18(2,13-7-9-14(19)10-8-13)17(20)16-11-12-5-3-4-6-15(12)21-16/h3-11,17,20H,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol?
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 284.33 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 114726568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).