1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol

C18H17FO2 — CID 114872398

IUPAC1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H17FO2/c1-3-18(20,14-5-4-6-15(19)11-14)17-10-13-9-12(2)7-8-16(13)21-17/h4-11,20H,3H2,1-2H3
InChIKeyHXXPOFSHHALRFO-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.53
Rot. Bonds3

About 1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol

1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol (PubChem CID 114872398) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
PubChem CID114872398
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H17FO2/c1-3-18(20,14-5-4-6-15(19)11-14)17-10-13-9-12(2)7-8-16(13)21-17/h4-11,20H,3H2,1-2H3
InChIKeyHXXPOFSHHALRFO-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol
CID 114724921
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872344
1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950
1-(3-fluorophenyl)-1-(5-methylthiophen-3-yl)propan-1-ol
CID 114872384
2-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016416
3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol
CID 114733018
2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729395
1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114795009
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
1-(5-chloro-1-benzofuran-2-yl)-1-(3-methylphenyl)ethanol
CID 114722975
2-amino-1,1-bis(3-fluorophenyl)ethanol
CID 71663464

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol (CID 114872398) is 1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol is CCC(O)(c1cccc(F)c1)c1cc2cc(C)ccc2o1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is HXXPOFSHHALRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-3-18(20,14-5-4-6-15(19)11-14)17-10-13-9-12(2)7-8-16(13)21-17/h4-11,20H,3H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 284.33 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 114872398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).