(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol

C15H10FIO2 — CID 115836962

IUPAC(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H10FIO2/c16-12-3-1-2-10-8-13(19-15(10)12)14(18)9-4-6-11(17)7-5-9/h1-8,14,18H
InChIKeyAMVVTVVMAUKLFG-UHFFFAOYSA-N
MW368.15 g/mol
LogP4.26
Rot. Bonds2

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

(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol (PubChem CID 115836962) has the molecular formula C15H10FIO2 and a molecular weight of 368.15 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
PubChem CID115836962
Molecular FormulaC15H10FIO2
Molecular Weight368.15 g/mol
Exact Mass367.97
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H10FIO2/c16-12-3-1-2-10-8-13(19-15(10)12)14(18)9-4-6-11(17)7-5-9/h1-8,14,18H
InChIKeyAMVVTVVMAUKLFG-UHFFFAOYSA-N
XLogP4.26
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.15
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
CID 114724496
(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604
1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115836912
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol
CID 115836972
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
3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
CID 114724502
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanol
CID 114723330
(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine
CID 105047405
(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107947837
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726486

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol (CID 115836962) is (7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol is OC(c1ccc(I)cc1)c1cc2cccc(F)c2o1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol?
The InChIKey is AMVVTVVMAUKLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIO2/c16-12-3-1-2-10-8-13(19-15(10)12)14(18)9-4-6-11(17)7-5-9/h1-8,14,18H.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol?
(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol has a molecular weight of 368.15 g/mol, XLogP of 4.26, 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)-(4-iodophenyl)methanol is sourced from PubChem (CID 115836962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).