1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene

C18H20 — CID 15556691

IUPAC1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
SMILESCc1ccc([C@@H]2CC[C@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20/c1-13-3-7-15(8-4-13)17-11-12-18(17)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3/t17-,18-/m0/s1
InChIKeyUIEVJZIJBWAHOS-ROUUACIJSA-N
MW236.36 g/mol
LogP4.96
Rot. Bonds2

About 1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene

1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene (PubChem CID 15556691) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
PubChem CID15556691
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
SMILESCc1ccc([C@@H]2CC[C@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20/c1-13-3-7-15(8-4-13)17-11-12-18(17)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3/t17-,18-/m0/s1
InChIKeyUIEVJZIJBWAHOS-ROUUACIJSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-methylphenyl)cyclobutan-1-ol
CID 126971920
cis-(1R,2R)-2-(4-methylphenyl)cyclopentan-1-ol
CID 26594915
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
6-[2-(4-methylphenyl)cyclobutyl]quinoline
CID 172635808
cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 94869351
3-methyl-4-(4-methylphenyl)oxolane
CID 59185711
(1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol
CID 10703299
1-[(4S)-2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 137384106
4-(4-methylphenyl)-1-oxido-3-phenylpiperidine
CID 88650309
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene?
The IUPAC name of 1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene (CID 15556691) is 1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene.
What is the SMILES notation for 1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene?
The canonical SMILES for 1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene is Cc1ccc([C@@H]2CC[C@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene?
The InChIKey is UIEVJZIJBWAHOS-ROUUACIJSA-N. The full InChI is InChI=1S/C18H20/c1-13-3-7-15(8-4-13)17-11-12-18(17)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of 1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene?
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene has a molecular weight of 236.36 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene is sourced from PubChem (CID 15556691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).