1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene

C35H48F2 — CID 59950135

IUPAC1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene
SMILESC/C(=C\c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(CCC2CCC(CC=C(F)F)CC2)c(C)c1C
InChIInChI=1S/C35H48F2/c1-20(19-33-24(5)22(3)21(2)23(4)25(33)6)35-28(9)26(7)32(27(8)29(35)10)17-15-30-11-13-31(14-12-30)16-18-34(36)37/h18-19,30-31H,11-17H2,1-10H3/b20-19+
InChIKeyANMRFTPTILNTQB-FMQUCBEESA-N
MW506.77 g/mol
LogP10.93
Rot. Bonds7

About 1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene

1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene (PubChem CID 59950135) has the molecular formula C35H48F2 and a molecular weight of 506.77 g/mol. Its IUPAC name is 1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene
PubChem CID59950135
Molecular FormulaC35H48F2
Molecular Weight506.77 g/mol
Exact Mass506.37
IUPAC Name1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene
SMILESC/C(=C\c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(CCC2CCC(CC=C(F)F)CC2)c(C)c1C
InChIInChI=1S/C35H48F2/c1-20(19-33-24(5)22(3)21(2)23(4)25(33)6)35-28(9)26(7)32(27(8)29(35)10)17-15-30-11-13-31(14-12-30)16-18-34(36)37/h18-19,30-31H,11-17H2,1-10H3/b20-19+
InChIKeyANMRFTPTILNTQB-FMQUCBEESA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.77
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene with MolForge

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Related Compounds

1-[1-[4-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]cyclohexyl]prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene
CID 59950093
1-[4-[4-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]butyl]cyclohexyl]-2,3,4,5,6-pentamethylbenzene
CID 59950170
1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
CID 59950119
4-[3-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]oxypropyl]cyclohexan-1-one
CID 20599796
3-methylbut-2-enylcyclopropane
CID 12663410
5-[4-[4-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-1,3-dioxane
CID 91088342
N-[4-[[4-[[4-[[4-(3,3-difluoroprop-2-enyl)cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]-2,6-dimethylphenyl]methanimine
CID 21138620
5-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-2-[4-(4-pentylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 20599929
1-methyl-4-[3-methyl-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 54111448
5-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-2-pentyl-1,3-dioxane
CID 20599934
2-methyl-4-[4-(3-methyl-4-oxobut-2-enyl)cyclohexyl]but-2-enal
CID 173408672
1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane
CID 19842816

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene?
The IUPAC name of 1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene (CID 59950135) is 1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene.
What is the SMILES notation for 1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene?
The canonical SMILES for 1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene is C/C(=C\c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(CCC2CCC(CC=C(F)F)CC2)c(C)c1C.
What is the InChIKey of 1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene?
The InChIKey is ANMRFTPTILNTQB-FMQUCBEESA-N. The full InChI is InChI=1S/C35H48F2/c1-20(19-33-24(5)22(3)21(2)23(4)25(33)6)35-28(9)26(7)32(27(8)29(35)10)17-15-30-11-13-31(14-12-30)16-18-34(36)37/h18-19,30-31H,11-17H2,1-10H3/b20-19+.
What are the key properties of 1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene?
1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene has a molecular weight of 506.77 g/mol, XLogP of 10.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethyl]-2,3,5,6-tetramethyl-4-[(E)-1-(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]benzene is sourced from PubChem (CID 59950135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).