1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol

C26H29FO3 — CID 57227630

IUPAC1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol
SMILESCCC(O)CC(O)C=Cc1c(C(C)C)oc(-c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C26H29FO3/c1-4-21(28)16-22(29)14-15-23-24(18-10-12-20(27)13-11-18)26(30-25(23)17(2)3)19-8-6-5-7-9-19/h5-15,17,21-22,28-29H,4,16H2,1-3H3
InChIKeyLASPEIYWKCLGNM-UHFFFAOYSA-N
MW408.51 g/mol
LogP6.41
Rot. Bonds8

About 1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol

1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol (PubChem CID 57227630) has the molecular formula C26H29FO3 and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol
PubChem CID57227630
Molecular FormulaC26H29FO3
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol
SMILESCCC(O)CC(O)C=Cc1c(C(C)C)oc(-c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C26H29FO3/c1-4-21(28)16-22(29)14-15-23-24(18-10-12-20(27)13-11-18)26(30-25(23)17(2)3)19-8-6-5-7-9-19/h5-15,17,21-22,28-29H,4,16H2,1-3H3
InChIKeyLASPEIYWKCLGNM-UHFFFAOYSA-N
XLogP6.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-7-[2-tert-butyl-4-(4-fluorophenyl)-5-phenylfuran-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 14500325
(E,5S)-1-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]hept-1-ene-3,5-diol
CID 59660746
methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 172810966
(E)-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-1-ene-3,5-diol
CID 22412416
7-[2-tert-butyl-4-(4-fluorophenyl)-5-phenylfuran-3-yl]-5-hydroxy-3-oxohept-6-enoic acid
CID 57205646
(E,3S,5R)-7-[4-(4-fluorophenyl)-2-propan-2-ylquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 14229349
(E,3R,5S)-7-[2-butan-2-yl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid;ethane
CID 143655711
(E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
CID 14652801
(E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid
CID 67279140
(E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;zinc
CID 174650768
(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enal;methanol
CID 91595621
(E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;methanesulfonic acid
CID 175141944

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol (CID 57227630) is 1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol is CCC(O)CC(O)C=Cc1c(C(C)C)oc(-c2ccccc2)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol?
The InChIKey is LASPEIYWKCLGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FO3/c1-4-21(28)16-22(29)14-15-23-24(18-10-12-20(27)13-11-18)26(30-25(23)17(2)3)19-8-6-5-7-9-19/h5-15,17,21-22,28-29H,4,16H2,1-3H3.
What are the key properties of 1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol?
1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol has a molecular weight of 408.51 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]hept-1-ene-3,5-diol is sourced from PubChem (CID 57227630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).