2-[(2,5-dimethylphenyl)methyl]oxirane

C11H14O — CID 14045723

IUPAC2-[(2,5-dimethylphenyl)methyl]oxirane
SMILESCc1ccc(C)c(CC2CO2)c1
InChIInChI=1S/C11H14O/c1-8-3-4-9(2)10(5-8)6-11-7-12-11/h3-5,11H,6-7H2,1-2H3
InChIKeyNYHJWNUIJCKWES-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.24
Rot. Bonds2

About 2-[(2,5-dimethylphenyl)methyl]oxirane

2-[(2,5-dimethylphenyl)methyl]oxirane (PubChem CID 14045723) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]oxirane
PubChem CID14045723
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-[(2,5-dimethylphenyl)methyl]oxirane
SMILESCc1ccc(C)c(CC2CO2)c1
InChIInChI=1S/C11H14O/c1-8-3-4-9(2)10(5-8)6-11-7-12-11/h3-5,11H,6-7H2,1-2H3
InChIKeyNYHJWNUIJCKWES-UHFFFAOYSA-N
XLogP2.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.24
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

4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416
5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine
CID 116817401
2-[2-(2,4-dimethylphenyl)ethyl]oxirane
CID 83928048
2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene
CID 63471595
2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methylbenzenesulfonic acid
CID 134537896
2-[(2,5-dimethylphenyl)methyl]piperazine
CID 82282920
1-(2,5-dimethylphenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543612
methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 174690186
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane
CID 131145982
2-[(2,5-dimethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-7-ol
CID 82228774

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]oxirane?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]oxirane (CID 14045723) is 2-[(2,5-dimethylphenyl)methyl]oxirane.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]oxirane?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]oxirane is Cc1ccc(C)c(CC2CO2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]oxirane?
The InChIKey is NYHJWNUIJCKWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-8-3-4-9(2)10(5-8)6-11-7-12-11/h3-5,11H,6-7H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]oxirane?
2-[(2,5-dimethylphenyl)methyl]oxirane has a molecular weight of 162.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]oxirane is sourced from PubChem (CID 14045723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).