2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane

C16H24O3 — CID 66474354

IUPAC2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane
SMILESCc1ccc(C(C)C)cc1OCCC1OCCCO1
InChIInChI=1S/C16H24O3/c1-12(2)14-6-5-13(3)15(11-14)17-10-7-16-18-8-4-9-19-16/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyVJGYKXAVHZJAGM-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.65
Rot. Bonds5

About 2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane

2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane (PubChem CID 66474354) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane
PubChem CID66474354
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane
SMILESCc1ccc(C(C)C)cc1OCCC1OCCCO1
InChIInChI=1S/C16H24O3/c1-12(2)14-6-5-13(3)15(11-14)17-10-7-16-18-8-4-9-19-16/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyVJGYKXAVHZJAGM-UHFFFAOYSA-N
XLogP3.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane
CID 66475164
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-dioxane
CID 66474760
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1,3-dioxane
CID 115402495
1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 107914282
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81004753
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 63497734
(2R,6S)-2,6-dimethyl-4-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]morpholine
CID 887414

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane (CID 66474354) is 2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane is Cc1ccc(C(C)C)cc1OCCC1OCCCO1.
What is the InChIKey of 2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane?
The InChIKey is VJGYKXAVHZJAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-12(2)14-6-5-13(3)15(11-14)17-10-7-16-18-8-4-9-19-16/h5-6,11-12,16H,4,7-10H2,1-3H3.
What are the key properties of 2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane?
2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane has a molecular weight of 264.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane is sourced from PubChem (CID 66474354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).