2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane

C14H18O3 — CID 117062487

IUPAC2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane
SMILESCOc1cccc(/C=C\CC2OCCCO2)c1
InChIInChI=1S/C14H18O3/c1-15-13-7-2-5-12(11-13)6-3-8-14-16-9-4-10-17-14/h2-3,5-7,11,14H,4,8-10H2,1H3/b6-3-
InChIKeyHCYHADKJAFLBDE-UTCJRWHESA-N
MW234.30 g/mol
LogP2.86
Rot. Bonds4

About 2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane

2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane (PubChem CID 117062487) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane
PubChem CID117062487
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane
SMILESCOc1cccc(/C=C\CC2OCCCO2)c1
InChIInChI=1S/C14H18O3/c1-15-13-7-2-5-12(11-13)6-3-8-14-16-9-4-10-17-14/h2-3,5-7,11,14H,4,8-10H2,1H3/b6-3-
InChIKeyHCYHADKJAFLBDE-UTCJRWHESA-N
XLogP2.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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dimethyl (2S,4R)-4-[(E)-3-(3-methoxyphenyl)prop-2-enyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 11824206
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CID 74412787

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane?
The IUPAC name of 2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane (CID 117062487) is 2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane.
What is the SMILES notation for 2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane?
The canonical SMILES for 2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane is COc1cccc(/C=C\CC2OCCCO2)c1.
What is the InChIKey of 2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane?
The InChIKey is HCYHADKJAFLBDE-UTCJRWHESA-N. The full InChI is InChI=1S/C14H18O3/c1-15-13-7-2-5-12(11-13)6-3-8-14-16-9-4-10-17-14/h2-3,5-7,11,14H,4,8-10H2,1H3/b6-3-.
What are the key properties of 2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane?
2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane has a molecular weight of 234.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane is sourced from PubChem (CID 117062487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).