2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane

C14H20O — CID 83928171

IUPAC2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane
SMILESCc1ccc(C)c(C(C)CC2OC2C)c1
InChIInChI=1S/C14H20O/c1-9-5-6-10(2)13(7-9)11(3)8-14-12(4)15-14/h5-7,11-12,14H,8H2,1-4H3
InChIKeyFBRLRWMSCXWWOB-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.58
Rot. Bonds3

About 2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane

2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane (PubChem CID 83928171) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane
PubChem CID83928171
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane
SMILESCc1ccc(C)c(C(C)CC2OC2C)c1
InChIInChI=1S/C14H20O/c1-9-5-6-10(2)13(7-9)11(3)8-14-12(4)15-14/h5-7,11-12,14H,8H2,1-4H3
InChIKeyFBRLRWMSCXWWOB-UHFFFAOYSA-N
XLogP3.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane
CID 83928064
CID 136852898
CID 136852898
2-[2-(2-fluoro-4-methylphenyl)butyl]-3-methyloxirane
CID 83925797
2-[2-(2,5-dimethylphenyl)ethyl]-3-methyloxirane
CID 83928166
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
4-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 64718536
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine
CID 113289535
N-cyclopropyl-1-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 62070690
2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene
CID 63433985
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
2-(4-bromo-3-methylbutan-2-yl)-1,4-dimethylbenzene
CID 83928097

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane?
The IUPAC name of 2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane (CID 83928171) is 2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane.
What is the SMILES notation for 2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane?
The canonical SMILES for 2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane is Cc1ccc(C)c(C(C)CC2OC2C)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane?
The InChIKey is FBRLRWMSCXWWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-5-6-10(2)13(7-9)11(3)8-14-12(4)15-14/h5-7,11-12,14H,8H2,1-4H3.
What are the key properties of 2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane?
2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane has a molecular weight of 204.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane is sourced from PubChem (CID 83928171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).