1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene

C28H28F4O — CID 143909052

IUPAC1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESCOc1ccc(-c2ccc(CCc3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C28H28F4O/c1-17-3-8-19(9-4-17)22-14-13-21(25(29)26(22)30)12-7-18-5-10-20(11-6-18)23-15-16-24(33-2)28(32)27(23)31/h5-6,10-11,13-17,19H,3-4,7-9,12H2,1-2H3
InChIKeyYQARHYPOTUUKDE-UHFFFAOYSA-N
MW456.52 g/mol
LogP8.00
Rot. Bonds6

About 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene

1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene (PubChem CID 143909052) has the molecular formula C28H28F4O and a molecular weight of 456.52 g/mol. Its IUPAC name is 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
PubChem CID143909052
Molecular FormulaC28H28F4O
Molecular Weight456.52 g/mol
Exact Mass456.21
IUPAC Name1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESCOc1ccc(-c2ccc(CCc3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C28H28F4O/c1-17-3-8-19(9-4-17)22-14-13-21(25(29)26(22)30)12-7-18-5-10-20(11-6-18)23-15-16-24(33-2)28(32)27(23)31/h5-6,10-11,13-17,19H,3-4,7-9,12H2,1-2H3
InChIKeyYQARHYPOTUUKDE-UHFFFAOYSA-N
XLogP8.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene
CID 163764553
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 159164555
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 139749327
1-[4-[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 143772982
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-methoxybenzene
CID 70820671
1-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 143773014
1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 67734076
2,3-difluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 158933445

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene (CID 143909052) is 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene is COc1ccc(-c2ccc(CCc3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1F.
What is the InChIKey of 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The InChIKey is YQARHYPOTUUKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4O/c1-17-3-8-19(9-4-17)22-14-13-21(25(29)26(22)30)12-7-18-5-10-20(11-6-18)23-15-16-24(33-2)28(32)27(23)31/h5-6,10-11,13-17,19H,3-4,7-9,12H2,1-2H3.
What are the key properties of 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene has a molecular weight of 456.52 g/mol, XLogP of 8.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 143909052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).