1-(2-cyclopropyloxyethoxy)-4-methylbenzene

C12H16O2 — CID 153135187

IUPAC1-(2-cyclopropyloxyethoxy)-4-methylbenzene
SMILESCc1ccc(OCCOC2CC2)cc1
InChIInChI=1S/C12H16O2/c1-10-2-4-11(5-3-10)13-8-9-14-12-6-7-12/h2-5,12H,6-9H2,1H3
InChIKeyVXNLLGLGPPJFHY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.55
Rot. Bonds5

About 1-(2-cyclopropyloxyethoxy)-4-methylbenzene

1-(2-cyclopropyloxyethoxy)-4-methylbenzene (PubChem CID 153135187) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2-cyclopropyloxyethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-cyclopropyloxyethoxy)-4-methylbenzene
PubChem CID153135187
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(2-cyclopropyloxyethoxy)-4-methylbenzene
SMILESCc1ccc(OCCOC2CC2)cc1
InChIInChI=1S/C12H16O2/c1-10-2-4-11(5-3-10)13-8-9-14-12-6-7-12/h2-5,12H,6-9H2,1H3
InChIKeyVXNLLGLGPPJFHY-UHFFFAOYSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[6-[4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxybutoxy]cyclohexyl]oxyhexoxy]benzene
CID 59265557
1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
CID 59265586
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene
CID 123373823
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine
CID 62445094
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxyethoxy)-4-methylbenzene?
The IUPAC name of 1-(2-cyclopropyloxyethoxy)-4-methylbenzene (CID 153135187) is 1-(2-cyclopropyloxyethoxy)-4-methylbenzene.
What is the SMILES notation for 1-(2-cyclopropyloxyethoxy)-4-methylbenzene?
The canonical SMILES for 1-(2-cyclopropyloxyethoxy)-4-methylbenzene is Cc1ccc(OCCOC2CC2)cc1.
What is the InChIKey of 1-(2-cyclopropyloxyethoxy)-4-methylbenzene?
The InChIKey is VXNLLGLGPPJFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-10-2-4-11(5-3-10)13-8-9-14-12-6-7-12/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-(2-cyclopropyloxyethoxy)-4-methylbenzene?
1-(2-cyclopropyloxyethoxy)-4-methylbenzene has a molecular weight of 192.26 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxyethoxy)-4-methylbenzene is sourced from PubChem (CID 153135187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).