1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene

C22H28 — CID 163627062

IUPAC1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
SMILESCc1ccc(C2CCC(C[C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28/c1-17-8-12-21(13-9-17)22-14-10-19(11-15-22)16-18(2)20-6-4-3-5-7-20/h3-9,12-13,18-19,22H,10-11,14-16H2,1-2H3/t18-,19?,22?/m1/s1
InChIKeyHSXLQGKWIQNHPR-FLPIEVNYSA-N
MW292.47 g/mol
LogP6.46
Rot. Bonds4

About 1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene

1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene (PubChem CID 163627062) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
PubChem CID163627062
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
SMILESCc1ccc(C2CCC(C[C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28/c1-17-8-12-21(13-9-17)22-14-10-19(11-15-22)16-18(2)20-6-4-3-5-7-20/h3-9,12-13,18-19,22H,10-11,14-16H2,1-2H3/t18-,19?,22?/m1/s1
InChIKeyHSXLQGKWIQNHPR-FLPIEVNYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene
CID 21052589
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
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
4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzonitrile
CID 21052969
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698888
1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 58698248
2-fluoro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]-1-propylbenzene
CID 58699243
1-[2-(4-pent-3-enylcyclohexyl)ethyl]-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 90889920
2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol
CID 71102900
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58698614

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene?
The IUPAC name of 1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene (CID 163627062) is 1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene is Cc1ccc(C2CCC(C[C@@H](C)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene?
The InChIKey is HSXLQGKWIQNHPR-FLPIEVNYSA-N. The full InChI is InChI=1S/C22H28/c1-17-8-12-21(13-9-17)22-14-10-19(11-15-22)16-18(2)20-6-4-3-5-7-20/h3-9,12-13,18-19,22H,10-11,14-16H2,1-2H3/t18-,19?,22?/m1/s1.
What are the key properties of 1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene?
1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene has a molecular weight of 292.47 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene is sourced from PubChem (CID 163627062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).