1-(cyclopropylmethyl)-2,3-dimethylbenzene

C12H16 — CID 20690233

IUPAC1-(cyclopropylmethyl)-2,3-dimethylbenzene
SMILESCc1cccc(CC2CC2)c1C
InChIInChI=1S/C12H16/c1-9-4-3-5-12(10(9)2)8-11-6-7-11/h3-5,11H,6-8H2,1-2H3
InChIKeyOOOVCWPXWIFPQL-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.26
Rot. Bonds2

About 1-(cyclopropylmethyl)-2,3-dimethylbenzene

1-(cyclopropylmethyl)-2,3-dimethylbenzene (PubChem CID 20690233) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2,3-dimethylbenzene
PubChem CID20690233
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-(cyclopropylmethyl)-2,3-dimethylbenzene
SMILESCc1cccc(CC2CC2)c1C
InChIInChI=1S/C12H16/c1-9-4-3-5-12(10(9)2)8-11-6-7-11/h3-5,11H,6-8H2,1-2H3
InChIKeyOOOVCWPXWIFPQL-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147038
3-[[(2,3-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270925
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206
1-(cyclopentyloxymethyl)-2,3-dimethylbenzene
CID 126674892
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63866886
acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234
1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2,3-dimethylbenzene?
The IUPAC name of 1-(cyclopropylmethyl)-2,3-dimethylbenzene (CID 20690233) is 1-(cyclopropylmethyl)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(cyclopropylmethyl)-2,3-dimethylbenzene?
The canonical SMILES for 1-(cyclopropylmethyl)-2,3-dimethylbenzene is Cc1cccc(CC2CC2)c1C.
What is the InChIKey of 1-(cyclopropylmethyl)-2,3-dimethylbenzene?
The InChIKey is OOOVCWPXWIFPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-9-4-3-5-12(10(9)2)8-11-6-7-11/h3-5,11H,6-8H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-2,3-dimethylbenzene?
1-(cyclopropylmethyl)-2,3-dimethylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2,3-dimethylbenzene is sourced from PubChem (CID 20690233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).