[(2S)-1-cyclopropylpropan-2-yl]benzene

C12H16 — CID 169109278

IUPAC[(2S)-1-cyclopropylpropan-2-yl]benzene
SMILESC[C@@H](CC1CC1)c1ccccc1
InChIInChI=1S/C12H16/c1-10(9-11-7-8-11)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-/m0/s1
InChIKeyDFHHGDVLCGLBMW-JTQLQIEISA-N
MW160.26 g/mol
LogP3.59
Rot. Bonds3

About [(2S)-1-cyclopropylpropan-2-yl]benzene

[(2S)-1-cyclopropylpropan-2-yl]benzene (PubChem CID 169109278) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is [(2S)-1-cyclopropylpropan-2-yl]benzene.

Molecular Properties

Compound Name[(2S)-1-cyclopropylpropan-2-yl]benzene
PubChem CID169109278
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name[(2S)-1-cyclopropylpropan-2-yl]benzene
SMILESC[C@@H](CC1CC1)c1ccccc1
InChIInChI=1S/C12H16/c1-10(9-11-7-8-11)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-/m0/s1
InChIKeyDFHHGDVLCGLBMW-JTQLQIEISA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 163627062
1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol
CID 71102889
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene
CID 91009695
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353
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-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052683
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]benzene
CID 58699463
4-(2-phenylpropyl)piperidine-2,6-dione
CID 63156337
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-cyclopropylpropan-2-yl]benzene?
The IUPAC name of [(2S)-1-cyclopropylpropan-2-yl]benzene (CID 169109278) is [(2S)-1-cyclopropylpropan-2-yl]benzene.
What is the SMILES notation for [(2S)-1-cyclopropylpropan-2-yl]benzene?
The canonical SMILES for [(2S)-1-cyclopropylpropan-2-yl]benzene is C[C@@H](CC1CC1)c1ccccc1.
What is the InChIKey of [(2S)-1-cyclopropylpropan-2-yl]benzene?
The InChIKey is DFHHGDVLCGLBMW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16/c1-10(9-11-7-8-11)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-1-cyclopropylpropan-2-yl]benzene?
[(2S)-1-cyclopropylpropan-2-yl]benzene has a molecular weight of 160.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-cyclopropylpropan-2-yl]benzene is sourced from PubChem (CID 169109278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).