1-(2-ethenoxyethoxy)-4-methylbenzene

C11H14O2 — CID 21338012

IUPAC1-(2-ethenoxyethoxy)-4-methylbenzene
SMILESC=COCCOc1ccc(C)cc1
InChIInChI=1S/C11H14O2/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h3-7H,1,8-9H2,2H3
InChIKeyLRQKCQUXUKNBRP-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.53
Rot. Bonds5

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

1-(2-ethenoxyethoxy)-4-methylbenzene (PubChem CID 21338012) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2-ethenoxyethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-ethenoxyethoxy)-4-methylbenzene
PubChem CID21338012
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(2-ethenoxyethoxy)-4-methylbenzene
SMILESC=COCCOc1ccc(C)cc1
InChIInChI=1S/C11H14O2/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h3-7H,1,8-9H2,2H3
InChIKeyLRQKCQUXUKNBRP-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-ethenoxyethoxy)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 58251088
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
4-(2-ethenoxyethoxy)benzoic acid
CID 15390034
bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium
CID 59319783
bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane
CID 151425397
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline
CID 86080312
4-(2-ethenoxyethoxy)-1,2-dimethoxybenzene
CID 20722042
[4-(2-ethenoxyethoxy)phenyl]-phenyldiazene
CID 86210096

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethoxy)-4-methylbenzene?
The IUPAC name of 1-(2-ethenoxyethoxy)-4-methylbenzene (CID 21338012) is 1-(2-ethenoxyethoxy)-4-methylbenzene.
What is the SMILES notation for 1-(2-ethenoxyethoxy)-4-methylbenzene?
The canonical SMILES for 1-(2-ethenoxyethoxy)-4-methylbenzene is C=COCCOc1ccc(C)cc1.
What is the InChIKey of 1-(2-ethenoxyethoxy)-4-methylbenzene?
The InChIKey is LRQKCQUXUKNBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h3-7H,1,8-9H2,2H3.
What are the key properties of 1-(2-ethenoxyethoxy)-4-methylbenzene?
1-(2-ethenoxyethoxy)-4-methylbenzene has a molecular weight of 178.23 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethoxy)-4-methylbenzene is sourced from PubChem (CID 21338012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).