1-ethenoxypropoxybenzene

C11H14O2 — CID 20548165

IUPAC1-ethenoxypropoxybenzene
SMILESC=COC(CC)Oc1ccccc1
InChIInChI=1S/C11H14O2/c1-3-11(12-4-2)13-10-8-6-5-7-9-10/h4-9,11H,2-3H2,1H3
InChIKeyXEBRFEJQYRKOPP-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.96
Rot. Bonds5

About 1-ethenoxypropoxybenzene

1-ethenoxypropoxybenzene (PubChem CID 20548165) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-ethenoxypropoxybenzene.

Molecular Properties

Compound Name1-ethenoxypropoxybenzene
PubChem CID20548165
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-ethenoxypropoxybenzene
SMILESC=COC(CC)Oc1ccccc1
InChIInChI=1S/C11H14O2/c1-3-11(12-4-2)13-10-8-6-5-7-9-10/h4-9,11H,2-3H2,1H3
InChIKeyXEBRFEJQYRKOPP-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl(1-phenoxypropoxy)alumane
CID 139905359
hex-5-en-3-yloxybenzene
CID 174866865
[(3S)-hex-1-en-3-yl]oxybenzene
CID 100974430
1-ethenoxypropan-2-yloxybenzene
CID 19808106
(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide
CID 40579720
dibutyl(1-phenoxypropoxy)alumane
CID 139905292
(2-ethoxy-2-phenoxyethyl)benzene
CID 54511534
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
1-phenoxybutane-1,2-diol
CID 19866542
(2R)-2-methoxy-2-phenoxyethanamine
CID 95474045
3-methyl-2-phenoxypentanamide
CID 173059765
3-ethenoxybut-3-en-2-yloxybenzene
CID 58667302

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxypropoxybenzene?
The IUPAC name of 1-ethenoxypropoxybenzene (CID 20548165) is 1-ethenoxypropoxybenzene.
What is the SMILES notation for 1-ethenoxypropoxybenzene?
The canonical SMILES for 1-ethenoxypropoxybenzene is C=COC(CC)Oc1ccccc1.
What is the InChIKey of 1-ethenoxypropoxybenzene?
The InChIKey is XEBRFEJQYRKOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-11(12-4-2)13-10-8-6-5-7-9-10/h4-9,11H,2-3H2,1H3.
What are the key properties of 1-ethenoxypropoxybenzene?
1-ethenoxypropoxybenzene has a molecular weight of 178.23 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxypropoxybenzene is sourced from PubChem (CID 20548165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).