2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane

C12H14O3 — CID 18704700

IUPAC2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane
SMILESC=C1COC(c2ccc(OC)cc2)OC1
InChIInChI=1S/C12H14O3/c1-9-7-14-12(15-8-9)10-3-5-11(13-2)6-4-10/h3-6,12H,1,7-8H2,2H3
InChIKeyDCNCOGWFMIGXSA-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.30
Rot. Bonds2

About 2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane

2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane (PubChem CID 18704700) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane
PubChem CID18704700
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane
SMILESC=C1COC(c2ccc(OC)cc2)OC1
InChIInChI=1S/C12H14O3/c1-9-7-14-12(15-8-9)10-3-5-11(13-2)6-4-10/h3-6,12H,1,7-8H2,2H3
InChIKeyDCNCOGWFMIGXSA-UHFFFAOYSA-N
XLogP2.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 13478629
(2R,3R)-2,3-bis(4-methoxyphenyl)-5-methylidene-1,4-dioxane
CID 11716583
(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
CID 25233008
CID 59269508
CID 59269508
(2S,4R,5R)-4-[(2R,4R,5R)-5-hydroxy-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 86310159
(2S,4S,5S)-2-(4-methoxyphenyl)-4-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5-methyl-1,3-dioxane
CID 11825831
4-(4-methoxyphenyl)-2-methylideneoxolane
CID 102089342
2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
CID 586240
(2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
CID 915634
(4S,5S)-5-(4-methoxyphenyl)-4-methyl-3-methylideneoxolan-2-one
CID 101402507
(2R,4R,5R)-5-hydroxy-2-(4-methoxyphenyl)-1,3-dioxane-4-carbaldehyde
CID 132574699
(2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane
CID 11521764

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane?
The IUPAC name of 2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane (CID 18704700) is 2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane?
The canonical SMILES for 2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane is C=C1COC(c2ccc(OC)cc2)OC1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane?
The InChIKey is DCNCOGWFMIGXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9-7-14-12(15-8-9)10-3-5-11(13-2)6-4-10/h3-6,12H,1,7-8H2,2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane?
2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane has a molecular weight of 206.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane is sourced from PubChem (CID 18704700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).