1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene

C30H32F4O — CID 67734076

IUPAC1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCOC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)c(F)c4F)cc3)c(F)c2F)CC1
InChIInChI=1S/C30H32F4O/c1-3-5-22-12-15-24(28(32)27(22)31)19-6-8-20(9-7-19)25-16-17-26(30(34)29(25)33)21-10-13-23(14-11-21)35-18-4-2/h6-9,12,15-17,21,23H,3-5,10-11,13-14,18H2,1-2H3
InChIKeyBOUDIQPGLOLJBJ-UHFFFAOYSA-N
MW484.58 g/mol
LogP8.98
Rot. Bonds8

About 1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene

1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene (PubChem CID 67734076) has the molecular formula C30H32F4O and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene.

Molecular Properties

Compound Name1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene
PubChem CID67734076
Molecular FormulaC30H32F4O
Molecular Weight484.58 g/mol
Exact Mass484.24
IUPAC Name1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCOC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)c(F)c4F)cc3)c(F)c2F)CC1
InChIInChI=1S/C30H32F4O/c1-3-5-22-12-15-24(28(32)27(22)31)19-6-8-20(9-7-19)25-16-17-26(30(34)29(25)33)21-10-13-23(14-11-21)35-18-4-2/h6-9,12,15-17,21,23H,3-5,10-11,13-14,18H2,1-2H3
InChIKeyBOUDIQPGLOLJBJ-UHFFFAOYSA-N
XLogP8.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[2-(4-butoxy-2-fluorophenyl)ethyl]phenyl]-2,3-difluoro-4-(4-propoxycyclohexyl)benzene
CID 89430400
2-[4-[4-[4-[(2,3-difluoro-4-propylphenyl)methoxy]cyclohexyl]-2,3-difluorophenyl]-2,3-difluorophenyl]oxirane
CID 88967666
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
1-(4-butoxycyclohexyl)-4-[4-[(4-ethoxy-2,3-difluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 89430551
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-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 143772982
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
1-butyl-4-[4-[2,3-difluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 67730689
5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 67733920
1-[4-[4-[2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethyl]cyclohexyl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 58453624
1-[4-[2,3-difluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 67738242
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 143909052

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene?
The IUPAC name of 1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene (CID 67734076) is 1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene.
What is the SMILES notation for 1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene?
The canonical SMILES for 1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene is CCCOC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)c(F)c4F)cc3)c(F)c2F)CC1.
What is the InChIKey of 1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene?
The InChIKey is BOUDIQPGLOLJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F4O/c1-3-5-22-12-15-24(28(32)27(22)31)19-6-8-20(9-7-19)25-16-17-26(30(34)29(25)33)21-10-13-23(14-11-21)35-18-4-2/h6-9,12,15-17,21,23H,3-5,10-11,13-14,18H2,1-2H3.
What are the key properties of 1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene?
1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene has a molecular weight of 484.58 g/mol, XLogP of 8.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene is sourced from PubChem (CID 67734076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).