1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene

C32H46 — CID 58698224

IUPAC1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(CCC3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C32H46/c1-3-7-26-16-20-31(21-17-26)32-22-18-28(19-23-32)11-10-27-12-14-29(15-13-27)24-25(2)30-8-5-4-6-9-30/h4-6,8-9,16-17,20-21,25,27-29,32H,3,7,10-15,18-19,22-24H2,1-2H3/t25-,27?,28?,29?,32?/m0/s1
InChIKeyFHFCNMULHSZFIG-PYLRBWDHSA-N
MW430.72 g/mol
LogP9.69
Rot. Bonds9

About 1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene

1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene (PubChem CID 58698224) has the molecular formula C32H46 and a molecular weight of 430.72 g/mol. Its IUPAC name is 1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
PubChem CID58698224
Molecular FormulaC32H46
Molecular Weight430.72 g/mol
Exact Mass430.36
IUPAC Name1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(CCC3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C32H46/c1-3-7-26-16-20-31(21-17-26)32-22-18-28(19-23-32)11-10-27-12-14-29(15-13-27)24-25(2)30-8-5-4-6-9-30/h4-6,8-9,16-17,20-21,25,27-29,32H,3,7,10-15,18-19,22-24H2,1-2H3/t25-,27?,28?,29?,32?/m0/s1
InChIKeyFHFCNMULHSZFIG-PYLRBWDHSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-pent-3-enylcyclohexyl)ethyl]-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 90889920
1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 163627062
1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
CID 139753533
1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 58698060
1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 58698248
1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene
CID 58699243
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene
CID 21052589
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353
2,6-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]ethyl]benzonitrile
CID 58699182

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene?
The IUPAC name of 1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene (CID 58698224) is 1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene.
What is the SMILES notation for 1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene?
The canonical SMILES for 1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene is CCCc1ccc(C2CCC(CCC3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene?
The InChIKey is FHFCNMULHSZFIG-PYLRBWDHSA-N. The full InChI is InChI=1S/C32H46/c1-3-7-26-16-20-31(21-17-26)32-22-18-28(19-23-32)11-10-27-12-14-29(15-13-27)24-25(2)30-8-5-4-6-9-30/h4-6,8-9,16-17,20-21,25,27-29,32H,3,7,10-15,18-19,22-24H2,1-2H3/t25-,27?,28?,29?,32?/m0/s1.
What are the key properties of 1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene?
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene has a molecular weight of 430.72 g/mol, XLogP of 9.69, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene is sourced from PubChem (CID 58698224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).