1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene

C27H32 — CID 139753489

IUPAC1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene
SMILESCCCc1ccc(CCc2ccc(C[C@@H](C)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C27H32/c1-4-5-23-8-10-24(11-9-23)12-13-25-14-16-26(17-15-25)20-22(3)27-18-6-21(2)7-19-27/h6-11,14-19,22H,4-5,12-13,20H2,1-3H3/t22-/m1/s1
InChIKeyGCVJQAACPLNXIN-JOCHJYFZSA-N
MW356.55 g/mol
LogP7.08
Rot. Bonds8

About 1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene

1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene (PubChem CID 139753489) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene
PubChem CID139753489
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene
SMILESCCCc1ccc(CCc2ccc(C[C@@H](C)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C27H32/c1-4-5-23-8-10-24(11-9-23)12-13-25-14-16-26(17-15-25)20-22(3)27-18-6-21(2)7-19-27/h6-11,14-19,22H,4-5,12-13,20H2,1-3H3/t22-/m1/s1
InChIKeyGCVJQAACPLNXIN-JOCHJYFZSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-phenylpropan-2-yl)-4-propylbenzene
CID 57021691
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
CID 21052564
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
1-butan-2-yl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,4-xylene
CID 157322735
1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537
1-(3-bromo-2-methylpropyl)-4-propylbenzene
CID 64671393
1-methyl-4-[2-[4-[2-(4-propylphenyl)ethyl]phenyl]ethynyl]benzene
CID 139767054

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene?
The IUPAC name of 1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene (CID 139753489) is 1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene is CCCc1ccc(CCc2ccc(C[C@@H](C)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene?
The InChIKey is GCVJQAACPLNXIN-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H32/c1-4-5-23-8-10-24(11-9-23)12-13-25-14-16-26(17-15-25)20-22(3)27-18-6-21(2)7-19-27/h6-11,14-19,22H,4-5,12-13,20H2,1-3H3/t22-/m1/s1.
What are the key properties of 1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene?
1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene has a molecular weight of 356.55 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene is sourced from PubChem (CID 139753489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).