(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol

C16H12F2O2 — CID 114723636

IUPAC(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc3cc(F)ccc3o2)ccc1F
InChIInChI=1S/C16H12F2O2/c1-9-6-10(2-4-13(9)18)16(19)15-8-11-7-12(17)3-5-14(11)20-15/h2-8,16,19H,1H3
InChIKeyASSCTOYOWRYRSF-UHFFFAOYSA-N
MW274.27 g/mol
LogP4.10
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol

(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol (PubChem CID 114723636) has the molecular formula C16H12F2O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
PubChem CID114723636
Molecular FormulaC16H12F2O2
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc3cc(F)ccc3o2)ccc1F
InChIInChI=1S/C16H12F2O2/c1-9-6-10(2-4-13(9)18)16(19)15-8-11-7-12(17)3-5-14(11)20-15/h2-8,16,19H,1H3
InChIKeyASSCTOYOWRYRSF-UHFFFAOYSA-N
XLogP4.10
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756364
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(5-bromothiophen-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129515
(5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836630
(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724197
(3-cyclopropylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724257

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol (CID 114723636) is (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)c2cc3cc(F)ccc3o2)ccc1F.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is ASSCTOYOWRYRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2/c1-9-6-10(2-4-13(9)18)16(19)15-8-11-7-12(17)3-5-14(11)20-15/h2-8,16,19H,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol?
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 274.27 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 114723636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).