1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol

C17H13FO3 — CID 115836912

IUPAC1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1ccc2c(c1)COC2)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H13FO3/c18-14-3-1-2-11-7-15(21-17(11)14)16(19)10-4-5-12-8-20-9-13(12)6-10/h1-7,16,19H,8-9H2
InChIKeyNVQUDQUWIQVHBN-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.68
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol

1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 115836912) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol
PubChem CID115836912
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1ccc2c(c1)COC2)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H13FO3/c18-14-3-1-2-11-7-15(21-17(11)14)16(19)10-4-5-12-8-20-9-13(12)6-10/h1-7,16,19H,8-9H2
InChIKeyNVQUDQUWIQVHBN-UHFFFAOYSA-N
XLogP3.68
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604
(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
CID 115836962
4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
CID 114724496
(2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81461442
3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
CID 114724502
(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
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanol
CID 114723330
1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 107477204
(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107947837

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol (CID 115836912) is 1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol is OC(c1ccc2c(c1)COC2)c1cc2cccc(F)c2o1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is NVQUDQUWIQVHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO3/c18-14-3-1-2-11-7-15(21-17(11)14)16(19)10-4-5-12-8-20-9-13(12)6-10/h1-7,16,19H,8-9H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol?
1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 284.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 115836912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).