(2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one

C110H129F5O12 — CID 162187313

IUPAC(2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CCC1=C[C@@H](c2ccc3ccccc3c2)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@@H](c2ccccc2C)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2c(F)cccc2F)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2cc(F)c(F)c(F)c2)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2cc(O)ccc2O)OC1=O
InChIInChI=1S/C25H28O2.C22H28O2.C21H23F3O2.C21H24F2O2.C21H26O4/c1-18(2)8-6-9-19(3)10-7-13-23-17-24(27-25(23)26)22-15-14-20-11-4-5-12-21(20)16-22;1-16(2)9-7-10-17(3)11-8-13-19-15-21(24-22(19)23)20-14-6-5-12-18(20)4;1-13(2)6-4-7-14(3)8-5-9-15-12-19(26-21(15)25)16-10-17(22)20(24)18(23)11-16;1-14(2)7-4-8-15(3)9-5-10-16-13-19(25-21(16)24)20-17(22)11-6-12-18(20)23;1-14(2)6-4-7-15(3)8-5-9-16-12-20(25-21(16)24)18-13-17(22)10-11-19(18)23/h4-5,8,10-12,14-17,24H,6-7,9,13H2,1-3H3;5-6,9,11-12,14-15,21H,7-8,10,13H2,1-4H3;6,8,10-12,19H,4-5,7,9H2,1-3H3;6-7,9,11-13,19H,4-5,8,10H2,1-3H3;6,8,10-13,20,22-23H,4-5,7,9H2,1-3H3/b19-10+;17-11+;14-8+;15-9+;15-8+/t24-;21-;2*19-;20-/m00111/s1
InChIKeyZPVFAXZMALTJMT-RJMCNXGDSA-N
MW1738.22 g/mol
LogP29.99
Rot. Bonds35

About (2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one

(2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one (PubChem CID 162187313) has the molecular formula C110H129F5O12 and a molecular weight of 1738.22 g/mol. Its IUPAC name is (2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one
PubChem CID162187313
Molecular FormulaC110H129F5O12
Molecular Weight1738.22 g/mol
Exact Mass1736.94
IUPAC Name(2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CCC1=C[C@@H](c2ccc3ccccc3c2)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@@H](c2ccccc2C)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2c(F)cccc2F)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2cc(F)c(F)c(F)c2)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2cc(O)ccc2O)OC1=O
InChIInChI=1S/C25H28O2.C22H28O2.C21H23F3O2.C21H24F2O2.C21H26O4/c1-18(2)8-6-9-19(3)10-7-13-23-17-24(27-25(23)26)22-15-14-20-11-4-5-12-21(20)16-22;1-16(2)9-7-10-17(3)11-8-13-19-15-21(24-22(19)23)20-14-6-5-12-18(20)4;1-13(2)6-4-7-14(3)8-5-9-15-12-19(26-21(15)25)16-10-17(22)20(24)18(23)11-16;1-14(2)7-4-8-15(3)9-5-10-16-13-19(25-21(16)24)20-17(22)11-6-12-18(20)23;1-14(2)6-4-7-15(3)8-5-9-16-12-20(25-21(16)24)18-13-17(22)10-11-19(18)23/h4-5,8,10-12,14-17,24H,6-7,9,13H2,1-3H3;5-6,9,11-12,14-15,21H,7-8,10,13H2,1-4H3;6,8,10-12,19H,4-5,7,9H2,1-3H3;6-7,9,11-13,19H,4-5,8,10H2,1-3H3;6,8,10-13,20,22-23H,4-5,7,9H2,1-3H3/b19-10+;17-11+;14-8+;15-9+;15-8+/t24-;21-;2*19-;20-/m00111/s1
InChIKeyZPVFAXZMALTJMT-RJMCNXGDSA-N
XLogP29.99
TPSA171.96 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.22
LogP ≤ 529.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one?
The IUPAC name of (2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one (CID 162187313) is (2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one?
The canonical SMILES for (2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one is CC(C)=CCC/C(C)=C/CCC1=C[C@@H](c2ccc3ccccc3c2)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@@H](c2ccccc2C)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2c(F)cccc2F)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2cc(F)c(F)c(F)c2)OC1=O.CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2cc(O)ccc2O)OC1=O.
What is the InChIKey of (2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one?
The InChIKey is ZPVFAXZMALTJMT-RJMCNXGDSA-N. The full InChI is InChI=1S/C25H28O2.C22H28O2.C21H23F3O2.C21H24F2O2.C21H26O4/c1-18(2)8-6-9-19(3)10-7-13-23-17-24(27-25(23)26)22-15-14-20-11-4-5-12-21(20)16-22;1-16(2)9-7-10-17(3)11-8-13-19-15-21(24-22(19)23)20-14-6-5-12-18(20)4;1-13(2)6-4-7-14(3)8-5-9-15-12-19(26-21(15)25)16-10-17(22)20(24)18(23)11-16;1-14(2)7-4-8-15(3)9-5-10-16-13-19(25-21(16)24)20-17(22)11-6-12-18(20)23;1-14(2)6-4-7-15(3)8-5-9-16-12-20(25-21(16)24)18-13-17(22)10-11-19(18)23/h4-5,8,10-12,14-17,24H,6-7,9,13H2,1-3H3;5-6,9,11-12,14-15,21H,7-8,10,13H2,1-4H3;6,8,10-12,19H,4-5,7,9H2,1-3H3;6-7,9,11-13,19H,4-5,8,10H2,1-3H3;6,8,10-13,20,22-23H,4-5,7,9H2,1-3H3/b19-10+;17-11+;14-8+;15-9+;15-8+/t24-;21-;2*19-;20-/m00111/s1.
What are the key properties of (2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one?
(2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one has a molecular weight of 1738.22 g/mol, XLogP of 29.99, 35 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-difluorophenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2R)-2-(2,5-dihydroxyphenyl)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(2-methylphenyl)-2H-furan-5-one;(2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one;(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(3,4,5-trifluorophenyl)-2H-furan-5-one is sourced from PubChem (CID 162187313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).