3-ethenoxybut-3-en-2-yloxybenzene

C12H14O2 — CID 58667302

IUPAC3-ethenoxybut-3-en-2-yloxybenzene
SMILESC=COC(=C)C(C)Oc1ccccc1
InChIInChI=1S/C12H14O2/c1-4-13-10(2)11(3)14-12-8-6-5-7-9-12/h4-9,11H,1-2H2,3H3
InChIKeyIZVPVPRFXPNVEB-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.13
Rot. Bonds5

About 3-ethenoxybut-3-en-2-yloxybenzene

3-ethenoxybut-3-en-2-yloxybenzene (PubChem CID 58667302) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-ethenoxybut-3-en-2-yloxybenzene.

Molecular Properties

Compound Name3-ethenoxybut-3-en-2-yloxybenzene
PubChem CID58667302
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-ethenoxybut-3-en-2-yloxybenzene
SMILESC=COC(=C)C(C)Oc1ccccc1
InChIInChI=1S/C12H14O2/c1-4-13-10(2)11(3)14-12-8-6-5-7-9-12/h4-9,11H,1-2H2,3H3
InChIKeyIZVPVPRFXPNVEB-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.13
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

3-methylbut-3-en-2-yloxybenzene
CID 564925
2-methylidene-3-phenoxybutanoic acid
CID 21464511
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
N-methyl-2-phenoxypropanamide
CID 4626974
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
1-ethenoxypropan-2-yloxybenzene
CID 19808106
1-phenoxyethanol
CID 66611531
N'-acetyl-2-phenoxypropanehydrazide
CID 43011734
2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
1-phenoxyethanol;trihydrate
CID 175915128

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxybut-3-en-2-yloxybenzene?
The IUPAC name of 3-ethenoxybut-3-en-2-yloxybenzene (CID 58667302) is 3-ethenoxybut-3-en-2-yloxybenzene.
What is the SMILES notation for 3-ethenoxybut-3-en-2-yloxybenzene?
The canonical SMILES for 3-ethenoxybut-3-en-2-yloxybenzene is C=COC(=C)C(C)Oc1ccccc1.
What is the InChIKey of 3-ethenoxybut-3-en-2-yloxybenzene?
The InChIKey is IZVPVPRFXPNVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-4-13-10(2)11(3)14-12-8-6-5-7-9-12/h4-9,11H,1-2H2,3H3.
What are the key properties of 3-ethenoxybut-3-en-2-yloxybenzene?
3-ethenoxybut-3-en-2-yloxybenzene has a molecular weight of 190.24 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxybut-3-en-2-yloxybenzene is sourced from PubChem (CID 58667302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).