1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol

C129H124F6O8 — CID 163760208

IUPAC1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol
SMILESCOc1c(/C=C/c2ccc(C)cc2)cccc1CO.COc1cc(/C=C/c2ccc(CO)cc2)ccc1C.Cc1ccc(/C=C/c2ccc(C)cc2F)cc1.Cc1ccc(/C=C/c2ccc(CO)cc2)c(CO)c1.Cc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1.Cc1ccc(F)c(/C=C/c2ccc(F)cc2)c1.Cc1cccc(/C=C/c2ccccc2)c1CO.OCc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/3C17H18O2.C16H13F3.C16H15F.C16H16O.C15H12F2.C15H14O/c1-13-2-8-16(17(10-13)12-19)9-7-14-3-5-15(11-18)6-4-14;1-13-3-4-15(11-17(13)19-2)8-5-14-6-9-16(12-18)10-7-14;1-13-6-8-14(9-7-13)10-11-15-4-3-5-16(12-18)17(15)19-2;1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17,18)19;1-12-3-6-14(7-4-12)8-10-15-9-5-13(2)11-16(15)17;1-13-6-5-9-15(16(13)12-17)11-10-14-7-3-2-4-8-14;1-11-2-9-15(17)13(10-11)6-3-12-4-7-14(16)8-5-12;16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h2-10,18-19H,11-12H2,1H3;2*3-11,18H,12H2,1-2H3;2-11H,1H3;3-11H,1-2H3;2-11,17H,12H2,1H3;2-10H,1H3;1-11,16H,12H2/b9-7+;8-5+;11-10+;10-9+;10-8+;11-10+;6-3+;11-10+
InChIKeyLXNSWCYVHAYCGZ-UBWSJNQBSA-N
MW1916.39 g/mol
LogP31.73
Rot. Bonds24

About 1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol

1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol (PubChem CID 163760208) has the molecular formula C129H124F6O8 and a molecular weight of 1916.39 g/mol. Its IUPAC name is 1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol.

Molecular Properties

Compound Name1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol
PubChem CID163760208
Molecular FormulaC129H124F6O8
Molecular Weight1916.39 g/mol
Exact Mass1914.92
IUPAC Name1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol
SMILESCOc1c(/C=C/c2ccc(C)cc2)cccc1CO.COc1cc(/C=C/c2ccc(CO)cc2)ccc1C.Cc1ccc(/C=C/c2ccc(C)cc2F)cc1.Cc1ccc(/C=C/c2ccc(CO)cc2)c(CO)c1.Cc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1.Cc1ccc(F)c(/C=C/c2ccc(F)cc2)c1.Cc1cccc(/C=C/c2ccccc2)c1CO.OCc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/3C17H18O2.C16H13F3.C16H15F.C16H16O.C15H12F2.C15H14O/c1-13-2-8-16(17(10-13)12-19)9-7-14-3-5-15(11-18)6-4-14;1-13-3-4-15(11-17(13)19-2)8-5-14-6-9-16(12-18)10-7-14;1-13-6-8-14(9-7-13)10-11-15-4-3-5-16(12-18)17(15)19-2;1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17,18)19;1-12-3-6-14(7-4-12)8-10-15-9-5-13(2)11-16(15)17;1-13-6-5-9-15(16(13)12-17)11-10-14-7-3-2-4-8-14;1-11-2-9-15(17)13(10-11)6-3-12-4-7-14(16)8-5-12;16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h2-10,18-19H,11-12H2,1H3;2*3-11,18H,12H2,1-2H3;2-11H,1H3;3-11H,1-2H3;2-11,17H,12H2,1H3;2-10H,1H3;1-11,16H,12H2/b9-7+;8-5+;11-10+;10-9+;10-8+;11-10+;6-3+;11-10+
InChIKeyLXNSWCYVHAYCGZ-UBWSJNQBSA-N
XLogP31.73
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001916.39
LogP ≤ 531.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol with MolForge

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Related Compounds

[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol
CID 160865394
[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol
CID 157192807
2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene
CID 143545189
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-[(E)-2-(2,5-difluorophenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-[(E)-2-(4-fluorophenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-[(E)-2-phenylethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 158970312
1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;(2,3-dimethoxy-5-methylphenyl)methanol;1-ethoxy-4-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(3-methoxy-5-methylphenyl)methanol;(4-methoxy-3-methylphenyl)methanol;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2,4-trimethylbenzene);1,2-xylene;1,4-xylene
CID 161022248
1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene
CID 174823899
1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10036098
(4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine
CID 162115826
[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
CID 115956147
2-[(E)-2-(2-fluorophenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one;bis(3-(3-hydroxyphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4-one);tris(3-(3-hydroxyphenyl)-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-one)
CID 162152881
2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene
CID 156631017
ethane;3-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfanyl-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145072385

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol?
The IUPAC name of 1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol (CID 163760208) is 1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol.
What is the SMILES notation for 1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol?
The canonical SMILES for 1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol is COc1c(/C=C/c2ccc(C)cc2)cccc1CO.COc1cc(/C=C/c2ccc(CO)cc2)ccc1C.Cc1ccc(/C=C/c2ccc(C)cc2F)cc1.Cc1ccc(/C=C/c2ccc(CO)cc2)c(CO)c1.Cc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1.Cc1ccc(F)c(/C=C/c2ccc(F)cc2)c1.Cc1cccc(/C=C/c2ccccc2)c1CO.OCc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol?
The InChIKey is LXNSWCYVHAYCGZ-UBWSJNQBSA-N. The full InChI is InChI=1S/3C17H18O2.C16H13F3.C16H15F.C16H16O.C15H12F2.C15H14O/c1-13-2-8-16(17(10-13)12-19)9-7-14-3-5-15(11-18)6-4-14;1-13-3-4-15(11-17(13)19-2)8-5-14-6-9-16(12-18)10-7-14;1-13-6-8-14(9-7-13)10-11-15-4-3-5-16(12-18)17(15)19-2;1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17,18)19;1-12-3-6-14(7-4-12)8-10-15-9-5-13(2)11-16(15)17;1-13-6-5-9-15(16(13)12-17)11-10-14-7-3-2-4-8-14;1-11-2-9-15(17)13(10-11)6-3-12-4-7-14(16)8-5-12;16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h2-10,18-19H,11-12H2,1H3;2*3-11,18H,12H2,1-2H3;2-11H,1H3;3-11H,1-2H3;2-11,17H,12H2,1H3;2-10H,1H3;1-11,16H,12H2/b9-7+;8-5+;11-10+;10-9+;10-8+;11-10+;6-3+;11-10+.
What are the key properties of 1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol?
1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol has a molecular weight of 1916.39 g/mol, XLogP of 31.73, 24 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol is sourced from PubChem (CID 163760208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).