2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene

C32H37ClF2 — CID 54005968

IUPAC2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene
SMILESCCc1ccc(CCC2CCC(CCc3cc(F)c(CCc4ccc(Cl)cc4)c(F)c3)CC2)cc1
InChIInChI=1S/C32H37ClF2/c1-2-23-3-5-24(6-4-23)7-8-25-9-11-26(12-10-25)13-14-28-21-31(34)30(32(35)22-28)20-17-27-15-18-29(33)19-16-27/h3-6,15-16,18-19,21-22,25-26H,2,7-14,17,20H2,1H3
InChIKeyKOXGVJXMUBRPLA-UHFFFAOYSA-N
MW495.10 g/mol
LogP9.34
Rot. Bonds10

About 2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene

2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene (PubChem CID 54005968) has the molecular formula C32H37ClF2 and a molecular weight of 495.10 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene
PubChem CID54005968
Molecular FormulaC32H37ClF2
Molecular Weight495.10 g/mol
Exact Mass494.26
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene
SMILESCCc1ccc(CCC2CCC(CCc3cc(F)c(CCc4ccc(Cl)cc4)c(F)c3)CC2)cc1
InChIInChI=1S/C32H37ClF2/c1-2-23-3-5-24(6-4-23)7-8-25-9-11-26(12-10-25)13-14-28-21-31(34)30(32(35)22-28)20-17-27-15-18-29(33)19-16-27/h3-6,15-16,18-19,21-22,25-26H,2,7-14,17,20H2,1H3
InChIKeyKOXGVJXMUBRPLA-UHFFFAOYSA-N
XLogP9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.10
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene with MolForge

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Related Compounds

2-chloro-5-[2-[2,6-difluoro-4-[2-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 54569734
2-chloro-5-[2-[2,6-difluoro-4-[2-[4-(4-heptylphenyl)cyclohexyl]ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 54017696
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
2-chloro-5-[2-[2,6-difluoro-4-[2-(4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758596
2-chloro-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758575
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54097147
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
2-chloro-5-[4-[2-[4-(4-ethylphenyl)cyclohexyl]ethyl]-2-fluorophenyl]-1,3-difluorobenzene
CID 54266929
2-chloro-1,3-difluoro-5-[2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethyl]benzene
CID 54430523
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54560708
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139848750

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene (CID 54005968) is 2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene is CCc1ccc(CCC2CCC(CCc3cc(F)c(CCc4ccc(Cl)cc4)c(F)c3)CC2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene?
The InChIKey is KOXGVJXMUBRPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClF2/c1-2-23-3-5-24(6-4-23)7-8-25-9-11-26(12-10-25)13-14-28-21-31(34)30(32(35)22-28)20-17-27-15-18-29(33)19-16-27/h3-6,15-16,18-19,21-22,25-26H,2,7-14,17,20H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene?
2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene has a molecular weight of 495.10 g/mol, XLogP of 9.34, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene is sourced from PubChem (CID 54005968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).