1-ethenoxypropan-2-yloxybenzene

C11H14O2 — CID 19808106

IUPAC1-ethenoxypropan-2-yloxybenzene
SMILESC=COCC(C)Oc1ccccc1
InChIInChI=1S/C11H14O2/c1-3-12-9-10(2)13-11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3
InChIKeyXTXQXZPIBVPGMZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.61
Rot. Bonds5

About 1-ethenoxypropan-2-yloxybenzene

1-ethenoxypropan-2-yloxybenzene (PubChem CID 19808106) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-ethenoxypropan-2-yloxybenzene.

Molecular Properties

Compound Name1-ethenoxypropan-2-yloxybenzene
PubChem CID19808106
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-ethenoxypropan-2-yloxybenzene
SMILESC=COCC(C)Oc1ccccc1
InChIInChI=1S/C11H14O2/c1-3-12-9-10(2)13-11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3
InChIKeyXTXQXZPIBVPGMZ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-phenoxypropyl) hydrogen phosphate
CID 21023163
2-phenoxypropyl dihydrogen phosphate
CID 21023142
bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate
CID 69119506
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
CID 139884710
1-ethenoxypropoxybenzene
CID 20548165
2-(4-phenoxyphenoxy)-N-prop-2-enylpropan-1-amine
CID 62571235
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
CID 25240077
1-nonoxypropan-2-yloxybenzene
CID 154296421
hex-5-en-3-yloxybenzene
CID 174866865

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxypropan-2-yloxybenzene?
The IUPAC name of 1-ethenoxypropan-2-yloxybenzene (CID 19808106) is 1-ethenoxypropan-2-yloxybenzene.
What is the SMILES notation for 1-ethenoxypropan-2-yloxybenzene?
The canonical SMILES for 1-ethenoxypropan-2-yloxybenzene is C=COCC(C)Oc1ccccc1.
What is the InChIKey of 1-ethenoxypropan-2-yloxybenzene?
The InChIKey is XTXQXZPIBVPGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-12-9-10(2)13-11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3.
What are the key properties of 1-ethenoxypropan-2-yloxybenzene?
1-ethenoxypropan-2-yloxybenzene has a molecular weight of 178.23 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxypropan-2-yloxybenzene is sourced from PubChem (CID 19808106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).