2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene

C26H29F — CID 170287642

IUPAC2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene
SMILESCc1ccc(-c2ccc(C3CC=C(C4=CCC(C)CC4)CC3)cc2)cc1F
InChIInChI=1S/C26H29F/c1-18-3-6-20(7-4-18)21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-8-5-19(2)26(27)17-25/h5-6,8-9,13-18,22H,3-4,7,10-12H2,1-2H3
InChIKeyJXOJJKBOVOFGJR-UHFFFAOYSA-N
MW360.52 g/mol
LogP7.74
Rot. Bonds3

About 2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene

2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene (PubChem CID 170287642) has the molecular formula C26H29F and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene
PubChem CID170287642
Molecular FormulaC26H29F
Molecular Weight360.52 g/mol
Exact Mass360.23
IUPAC Name2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene
SMILESCc1ccc(-c2ccc(C3CC=C(C4=CCC(C)CC4)CC3)cc2)cc1F
InChIInChI=1S/C26H29F/c1-18-3-6-20(7-4-18)21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-8-5-19(2)26(27)17-25/h5-6,8-9,13-18,22H,3-4,7,10-12H2,1-2H3
InChIKeyJXOJJKBOVOFGJR-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.52
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 59940195
CID 59940195
1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene
CID 143612352
4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]-2-methylphenol
CID 22508069
1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane
CID 143239765
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 157199372
2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine
CID 129014403
CID 134946842
CID 134946842
1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene
CID 156811575
4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene
CID 134256168
1-(4-methylcyclohexen-1-yl)-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538427

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene (CID 170287642) is 2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene is Cc1ccc(-c2ccc(C3CC=C(C4=CCC(C)CC4)CC3)cc2)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene?
The InChIKey is JXOJJKBOVOFGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F/c1-18-3-6-20(7-4-18)21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-8-5-19(2)26(27)17-25/h5-6,8-9,13-18,22H,3-4,7,10-12H2,1-2H3.
What are the key properties of 2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene?
2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene has a molecular weight of 360.52 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene is sourced from PubChem (CID 170287642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).