2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane

C14H20O3 — CID 70895225

IUPAC2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane
SMILESCOc1cccc(C2OCC(C(C)C)CO2)c1
InChIInChI=1S/C14H20O3/c1-10(2)12-8-16-14(17-9-12)11-5-4-6-13(7-11)15-3/h4-7,10,12,14H,8-9H2,1-3H3
InChIKeyXWEPHHBVAHCHIG-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.01
Rot. Bonds3

About 2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane

2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane (PubChem CID 70895225) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane
PubChem CID70895225
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane
SMILESCOc1cccc(C2OCC(C(C)C)CO2)c1
InChIInChI=1S/C14H20O3/c1-10(2)12-8-16-14(17-9-12)11-5-4-6-13(7-11)15-3/h4-7,10,12,14H,8-9H2,1-3H3
InChIKeyXWEPHHBVAHCHIG-UHFFFAOYSA-N
XLogP3.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
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CID 89178874
3-(3-methoxyphenyl)oxetane
CID 130113867
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CID 129034350
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CID 100945526
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
2-(3-methoxyphenyl)-2,5-dihydro-1-benzoxepine
CID 75985500
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane?
The IUPAC name of 2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane (CID 70895225) is 2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane?
The canonical SMILES for 2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane is COc1cccc(C2OCC(C(C)C)CO2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane?
The InChIKey is XWEPHHBVAHCHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)12-8-16-14(17-9-12)11-5-4-6-13(7-11)15-3/h4-7,10,12,14H,8-9H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane?
2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane has a molecular weight of 236.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 70895225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).