[4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol

C26H23FO3 — CID 14461328

IUPAC[4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol
SMILESCC(C)c1oc(-c2ccccc2)c(-c2ccc(F)c(Oc3ccccc3)c2)c1CO
InChIInChI=1S/C26H23FO3/c1-17(2)25-21(16-28)24(26(30-25)18-9-5-3-6-10-18)19-13-14-22(27)23(15-19)29-20-11-7-4-8-12-20/h3-15,17,28H,16H2,1-2H3
InChIKeyOBIGYPIMKGUYPN-UHFFFAOYSA-N
MW402.47 g/mol
LogP7.16
Rot. Bonds6

About [4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol

[4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol (PubChem CID 14461328) has the molecular formula C26H23FO3 and a molecular weight of 402.47 g/mol. Its IUPAC name is [4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol
PubChem CID14461328
Molecular FormulaC26H23FO3
Molecular Weight402.47 g/mol
Exact Mass402.16
IUPAC Name[4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol
SMILESCC(C)c1oc(-c2ccccc2)c(-c2ccc(F)c(Oc3ccccc3)c2)c1CO
InChIInChI=1S/C26H23FO3/c1-17(2)25-21(16-28)24(26(30-25)18-9-5-3-6-10-18)19-13-14-22(27)23(15-19)29-20-11-7-4-8-12-20/h3-15,17,28H,16H2,1-2H3
InChIKeyOBIGYPIMKGUYPN-UHFFFAOYSA-N
XLogP7.16
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol?
The IUPAC name of [4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol (CID 14461328) is [4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol.
What is the SMILES notation for [4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol?
The canonical SMILES for [4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol is CC(C)c1oc(-c2ccccc2)c(-c2ccc(F)c(Oc3ccccc3)c2)c1CO.
What is the InChIKey of [4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol?
The InChIKey is OBIGYPIMKGUYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FO3/c1-17(2)25-21(16-28)24(26(30-25)18-9-5-3-6-10-18)19-13-14-22(27)23(15-19)29-20-11-7-4-8-12-20/h3-15,17,28H,16H2,1-2H3.
What are the key properties of [4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol?
[4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol has a molecular weight of 402.47 g/mol, XLogP of 7.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol is sourced from PubChem (CID 14461328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).