2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane

C15H22O3 — CID 82131495

IUPAC2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane
SMILESCOc1ccc(C(C)C)cc1C1(C)OCCCO1
InChIInChI=1S/C15H22O3/c1-11(2)12-6-7-14(16-4)13(10-12)15(3)17-8-5-9-18-15/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyYELCKJCFSOKTFQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.43
Rot. Bonds3

About 2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane

2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane (PubChem CID 82131495) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane
PubChem CID82131495
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane
SMILESCOc1ccc(C(C)C)cc1C1(C)OCCCO1
InChIInChI=1S/C15H22O3/c1-11(2)12-6-7-14(16-4)13(10-12)15(3)17-8-5-9-18-15/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyYELCKJCFSOKTFQ-UHFFFAOYSA-N
XLogP3.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
CID 82297013
[2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82122630
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842284
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol
CID 116872986
6-[(2-methoxy-5-propan-2-ylphenyl)methyl]-6-methyl-1,4-diazepane
CID 98020438
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclopentan-1-amine
CID 117347443
[2-(2,5-dimethoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 79017767
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
CID 117320262
bis(2-methoxy-4-propan-2-ylphenyl)phosphane
CID 171780256
[2-(5-chloro-2-methoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 82132431

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane?
The IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane (CID 82131495) is 2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane.
What is the SMILES notation for 2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane?
The canonical SMILES for 2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane is COc1ccc(C(C)C)cc1C1(C)OCCCO1.
What is the InChIKey of 2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane?
The InChIKey is YELCKJCFSOKTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(2)12-6-7-14(16-4)13(10-12)15(3)17-8-5-9-18-15/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane?
2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane has a molecular weight of 250.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane is sourced from PubChem (CID 82131495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).