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

C16H12F2O2 — CID 114723604

IUPAC(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc3cccc(F)c3o2)cc1F
InChIInChI=1S/C16H12F2O2/c1-9-5-6-10(7-13(9)18)15(19)14-8-11-3-2-4-12(17)16(11)20-14/h2-8,15,19H,1H3
InChIKeyAJSOEGORKXRLEJ-UHFFFAOYSA-N
MW274.27 g/mol
LogP4.10
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol

(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol (PubChem CID 114723604) has the molecular formula C16H12F2O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
PubChem CID114723604
Molecular FormulaC16H12F2O2
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc3cccc(F)c3o2)cc1F
InChIInChI=1S/C16H12F2O2/c1-9-5-6-10(7-13(9)18)15(19)14-8-11-3-2-4-12(17)16(11)20-14/h2-8,15,19H,1H3
InChIKeyAJSOEGORKXRLEJ-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

(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol
CID 115836972
(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
CID 115836962
(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115837002
1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115836912
4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
CID 114724496
3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
CID 114724502
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanol
CID 114723330
(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723344
(7-fluoro-1-benzofuran-2-yl)-(5-methylpyrazin-2-yl)methanol
CID 105130111
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol (CID 114723604) is (7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2cc3cccc(F)c3o2)cc1F.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is AJSOEGORKXRLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2/c1-9-5-6-10(7-13(9)18)15(19)14-8-11-3-2-4-12(17)16(11)20-14/h2-8,15,19H,1H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol?
(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-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 (7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 114723604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).