2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene

C30H35F — CID 58699243

IUPAC2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene
SMILESCCCc1ccc(-c2ccc(C3CCC(C[C@@H](C)c4ccccc4)CC3)cc2)cc1F
InChIInChI=1S/C30H35F/c1-3-7-28-18-19-29(21-30(28)31)27-16-14-26(15-17-27)25-12-10-23(11-13-25)20-22(2)24-8-5-4-6-9-24/h4-6,8-9,14-19,21-23,25H,3,7,10-13,20H2,1-2H3/t22-,23?,25?/m1/s1
InChIKeyQUHAAJDIOPIXOQ-BJYSPHJKSA-N
MW414.61 g/mol
LogP8.91
Rot. Bonds7

About 2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene

2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene (PubChem CID 58699243) has the molecular formula C30H35F and a molecular weight of 414.61 g/mol. Its IUPAC name is 2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene
PubChem CID58699243
Molecular FormulaC30H35F
Molecular Weight414.61 g/mol
Exact Mass414.27
IUPAC Name2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene
SMILESCCCc1ccc(-c2ccc(C3CCC(C[C@@H](C)c4ccccc4)CC3)cc2)cc1F
InChIInChI=1S/C30H35F/c1-3-7-28-18-19-29(21-30(28)31)27-16-14-26(15-17-27)25-12-10-23(11-13-25)20-22(2)24-8-5-4-6-9-24/h4-6,8-9,14-19,21-23,25H,3,7,10-13,20H2,1-2H3/t22-,23?,25?/m1/s1
InChIKeyQUHAAJDIOPIXOQ-BJYSPHJKSA-N
XLogP8.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.61
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-pent-3-enyl-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 90730414
(3-fluoro-4-propylphenyl) 4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzoate
CID 58698191
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene
CID 21052589
2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 91059235
1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 163627062
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58698614
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652
4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzonitrile
CID 21052969
2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58699195
2-(4-chloro-3-fluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58698659
1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 58698248

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene?
The IUPAC name of 2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene (CID 58699243) is 2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene.
What is the SMILES notation for 2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene?
The canonical SMILES for 2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene is CCCc1ccc(-c2ccc(C3CCC(C[C@@H](C)c4ccccc4)CC3)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene?
The InChIKey is QUHAAJDIOPIXOQ-BJYSPHJKSA-N. The full InChI is InChI=1S/C30H35F/c1-3-7-28-18-19-29(21-30(28)31)27-16-14-26(15-17-27)25-12-10-23(11-13-25)20-22(2)24-8-5-4-6-9-24/h4-6,8-9,14-19,21-23,25H,3,7,10-13,20H2,1-2H3/t22-,23?,25?/m1/s1.
What are the key properties of 2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene?
2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene has a molecular weight of 414.61 g/mol, XLogP of 8.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene is sourced from PubChem (CID 58699243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).