1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene

C14H18O3 — CID 57079667

IUPAC1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene
SMILESC=CCC(COc1cccc(OC)c1)OC=C
InChIInChI=1S/C14H18O3/c1-4-7-14(16-5-2)11-17-13-9-6-8-12(10-13)15-3/h4-6,8-10,14H,1-2,7,11H2,3H3
InChIKeyDRINGPQMABSPBR-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.18
Rot. Bonds8

About 1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene

1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene (PubChem CID 57079667) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene.

Molecular Properties

Compound Name1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene
PubChem CID57079667
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene
SMILESC=CCC(COc1cccc(OC)c1)OC=C
InChIInChI=1S/C14H18O3/c1-4-7-14(16-5-2)11-17-13-9-6-8-12(10-13)15-3/h4-6,8-10,14H,1-2,7,11H2,3H3
InChIKeyDRINGPQMABSPBR-UHFFFAOYSA-N
XLogP3.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-pent-4-enoxybenzene
CID 10750277
2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium
CID 7285461
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
(3-methoxyphenoxy)methanol
CID 10442564
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
CID 172849383
CID 172849383
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine
CID 117240604
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene?
The IUPAC name of 1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene (CID 57079667) is 1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene.
What is the SMILES notation for 1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene?
The canonical SMILES for 1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene is C=CCC(COc1cccc(OC)c1)OC=C.
What is the InChIKey of 1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene?
The InChIKey is DRINGPQMABSPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-7-14(16-5-2)11-17-13-9-6-8-12(10-13)15-3/h4-6,8-10,14H,1-2,7,11H2,3H3.
What are the key properties of 1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene?
1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene has a molecular weight of 234.29 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene is sourced from PubChem (CID 57079667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).