(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol

C17H15FO2 — CID 114726422

IUPAC(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cc(F)ccc3C)cc2c1
InChIInChI=1S/C17H15FO2/c1-10-3-6-15-12(7-10)8-16(20-15)17(19)14-9-13(18)5-4-11(14)2/h3-9,17,19H,1-2H3
InChIKeySWBJRKHJJGHEJC-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.27
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol

(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114726422) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID114726422
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cc(F)ccc3C)cc2c1
InChIInChI=1S/C17H15FO2/c1-10-3-6-15-12(7-10)8-16(20-15)17(19)14-9-13(18)5-4-11(14)2/h3-9,17,19H,1-2H3
InChIKeySWBJRKHJJGHEJC-UHFFFAOYSA-N
XLogP4.27
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
[(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105211506
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 106884110
(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724197
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 114726422) is (5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is Cc1ccc2oc(C(O)c3cc(F)ccc3C)cc2c1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is SWBJRKHJJGHEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-10-3-6-15-12(7-10)8-16(20-15)17(19)14-9-13(18)5-4-11(14)2/h3-9,17,19H,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 270.30 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114726422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).