1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene

C12H16 — CID 144562671

IUPAC1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
SMILESCc1ccc([C@@H]2CC2(C)C)cc1
InChIInChI=1S/C12H16/c1-9-4-6-10(7-5-9)11-8-12(11,2)3/h4-7,11H,8H2,1-3H3/t11-/m0/s1
InChIKeyJDSRPCXZJRROJP-NSHDSACASA-N
MW160.26 g/mol
LogP3.51
Rot. Bonds1

About 1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene

1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene (PubChem CID 144562671) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
PubChem CID144562671
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
SMILESCc1ccc([C@@H]2CC2(C)C)cc1
InChIInChI=1S/C12H16/c1-9-4-6-10(7-5-9)11-8-12(11,2)3/h4-7,11H,8H2,1-3H3/t11-/m0/s1
InChIKeyJDSRPCXZJRROJP-NSHDSACASA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
CID 52630352
1-(2,2-difluorocyclopropyl)-4-methylbenzene
CID 25210513
2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol
CID 81416088
2,2-dimethyl-4-(4-methylphenyl)oxetane
CID 12731994
platinum;1,4-xylene
CID 173034643
1-methyl-4-[(1R,2S)-2-[(1R,2S)-2-(4-methylphenyl)-1-nitrocyclopropyl]-2-nitrocyclopropyl]benzene
CID 101168605
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 18730192
2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol
CID 81415265
(5S)-3,3-dimethyl-5-(4-methylphenyl)oxolan-2-one
CID 155934344
5,5-dimethyl-2-(4-methylphenyl)-1,3-dioxepane
CID 139546677
3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83247393

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene?
The IUPAC name of 1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene (CID 144562671) is 1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene.
What is the SMILES notation for 1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene?
The canonical SMILES for 1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene is Cc1ccc([C@@H]2CC2(C)C)cc1.
What is the InChIKey of 1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene?
The InChIKey is JDSRPCXZJRROJP-NSHDSACASA-N. The full InChI is InChI=1S/C12H16/c1-9-4-6-10(7-5-9)11-8-12(11,2)3/h4-7,11H,8H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene?
1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene is sourced from PubChem (CID 144562671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).