(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol

C18H17FO2 — CID 106884110

IUPAC(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cc(C)c(C(O)c2cc3cc(C)ccc3o2)c(F)c1
InChIInChI=1S/C18H17FO2/c1-10-4-5-15-13(7-10)9-16(21-15)18(20)17-12(3)6-11(2)8-14(17)19/h4-9,18,20H,1-3H3
InChIKeyJJGVIUBTPWDASF-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.58
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol

(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 106884110) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID106884110
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cc(C)c(C(O)c2cc3cc(C)ccc3o2)c(F)c1
InChIInChI=1S/C18H17FO2/c1-10-4-5-15-13(7-10)9-16(21-15)18(20)17-12(3)6-11(2)8-14(17)19/h4-9,18,20H,1-3H3
InChIKeyJJGVIUBTPWDASF-UHFFFAOYSA-N
XLogP4.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884122
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511
(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727481
(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 106884178
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 106884110) is (2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is Cc1cc(C)c(C(O)c2cc3cc(C)ccc3o2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is JJGVIUBTPWDASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-10-4-5-15-13(7-10)9-16(21-15)18(20)17-12(3)6-11(2)8-14(17)19/h4-9,18,20H,1-3H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 284.33 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 106884110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).