1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene

C17H18 — CID 162408890

IUPAC1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene
SMILESC[C@H]1CC[C@H]1c1ccccc1-c1ccccc1
InChIInChI=1S/C17H18/c1-13-11-12-15(13)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3/t13-,15+/m0/s1
InChIKeyJCAWYFBEMOVUAT-DZGCQCFKSA-N
MW222.33 g/mol
LogP4.87
Rot. Bonds2

About 1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene

1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene (PubChem CID 162408890) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene.

Molecular Properties

Compound Name1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene
PubChem CID162408890
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene
SMILESC[C@H]1CC[C@H]1c1ccccc1-c1ccccc1
InChIInChI=1S/C17H18/c1-13-11-12-15(13)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3/t13-,15+/m0/s1
InChIKeyJCAWYFBEMOVUAT-DZGCQCFKSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
CID 118593677
azane;1-cyclopropyl-2-phenylbenzene
CID 174547513
9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
CID 91472155
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
1-cyclobutyl-2-phenylbenzene
CID 23453799
(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane
CID 16687687
methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)
CID 162268984
1-methyl-5-phenyl-1,2,3,4-tetrahydronaphthalene
CID 91202286
methanol;9-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 175245609
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene
CID 144612902
2,2,6,6-tetramethyl-4-(2-phenylphenyl)piperidine
CID 150838395

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene?
The IUPAC name of 1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene (CID 162408890) is 1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene.
What is the SMILES notation for 1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene?
The canonical SMILES for 1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene is C[C@H]1CC[C@H]1c1ccccc1-c1ccccc1.
What is the InChIKey of 1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene?
The InChIKey is JCAWYFBEMOVUAT-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H18/c1-13-11-12-15(13)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3/t13-,15+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene?
1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene has a molecular weight of 222.33 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene is sourced from PubChem (CID 162408890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).