[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene

C17H18 — CID 100931572

IUPAC[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
SMILESC[C@@H]1[C@H](C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18/c1-13-14(2)17(13,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3/t13-,14+
InChIKeyMKHSXAGITGYKDT-OKILXGFUSA-N
MW222.33 g/mol
LogP4.26
Rot. Bonds2

About [(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene

[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene (PubChem CID 100931572) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is [(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene.

Molecular Properties

Compound Name[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
PubChem CID100931572
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
SMILESC[C@@H]1[C@H](C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18/c1-13-14(2)17(13,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3/t13-,14+
InChIKeyMKHSXAGITGYKDT-OKILXGFUSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-dimethyl-2,2-diphenyloxetane
CID 14290990
(1S,4R,5S,6S)-5,6-dimethyl-1,4-diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
CID 10708640
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
CID 14471431
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate
CID 134998960
[(1S,2S,3S)-1-chloro-2-methyl-3-propan-2-ylcyclopropyl]benzene
CID 134980000
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
(1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene
CID 177493569
1-fluoro-2,3-dimethyl-2-phenylaziridine
CID 12547280
(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol
CID 10537911

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene?
The IUPAC name of [(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene (CID 100931572) is [(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene.
What is the SMILES notation for [(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene?
The canonical SMILES for [(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene is C[C@@H]1[C@H](C)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene?
The InChIKey is MKHSXAGITGYKDT-OKILXGFUSA-N. The full InChI is InChI=1S/C17H18/c1-13-14(2)17(13,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3/t13-,14+.
What are the key properties of [(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene?
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene has a molecular weight of 222.33 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene is sourced from PubChem (CID 100931572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).