1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene

C29H42 — CID 139753533

IUPAC1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
SMILESCCCc1ccc(CCc2ccc([C@H](C)CC3CCC(CCC)CC3)cc2)cc1
InChIInChI=1S/C29H42/c1-4-6-24-8-10-26(11-9-24)12-13-27-18-20-29(21-19-27)23(3)22-28-16-14-25(7-5-2)15-17-28/h8-11,18-21,23,25,28H,4-7,12-17,22H2,1-3H3/t23-,25?,28?/m1/s1
InChIKeyIACJILNUZALHCM-PWKHNDMNSA-N
MW390.66 g/mol
LogP8.52
Rot. Bonds10

About 1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene

1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene (PubChem CID 139753533) has the molecular formula C29H42 and a molecular weight of 390.66 g/mol. Its IUPAC name is 1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
PubChem CID139753533
Molecular FormulaC29H42
Molecular Weight390.66 g/mol
Exact Mass390.33
IUPAC Name1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
SMILESCCCc1ccc(CCc2ccc([C@H](C)CC3CCC(CCC)CC3)cc2)cc1
InChIInChI=1S/C29H42/c1-4-6-24-8-10-26(11-9-24)12-13-27-18-20-29(21-19-27)23(3)22-28-16-14-25(7-5-2)15-17-28/h8-11,18-21,23,25,28H,4-7,12-17,22H2,1-3H3/t23-,25?,28?/m1/s1
InChIKeyIACJILNUZALHCM-PWKHNDMNSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene with MolForge

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Related Compounds

1-[(2R)-1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]propan-2-yl]-4-propylbenzene
CID 139753529
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene
CID 139753503
N-methyl-1-(4-propylcyclohexyl)-1-(4-propylphenyl)methanamine
CID 65424733
1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene
CID 22089378
2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene
CID 21052816
1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 173303525
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]benzene
CID 58699463
1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58699202
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene
CID 58698899

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene?
The IUPAC name of 1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene (CID 139753533) is 1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene.
What is the SMILES notation for 1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene?
The canonical SMILES for 1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene is CCCc1ccc(CCc2ccc([C@H](C)CC3CCC(CCC)CC3)cc2)cc1.
What is the InChIKey of 1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene?
The InChIKey is IACJILNUZALHCM-PWKHNDMNSA-N. The full InChI is InChI=1S/C29H42/c1-4-6-24-8-10-26(11-9-24)12-13-27-18-20-29(21-19-27)23(3)22-28-16-14-25(7-5-2)15-17-28/h8-11,18-21,23,25,28H,4-7,12-17,22H2,1-3H3/t23-,25?,28?/m1/s1.
What are the key properties of 1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene?
1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene has a molecular weight of 390.66 g/mol, XLogP of 8.52, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene is sourced from PubChem (CID 139753533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).