2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane

C12H16O3 — CID 82126602

IUPAC2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
SMILESCCOc1ccc(C2(C)OCCO2)cc1
InChIInChI=1S/C12H16O3/c1-3-13-11-6-4-10(5-7-11)12(2)14-8-9-15-12/h4-7H,3,8-9H2,1-2H3
InChIKeyBVQQXJZRQQCELG-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.30
Rot. Bonds3

About 2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane

2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane (PubChem CID 82126602) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
PubChem CID82126602
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
SMILESCCOc1ccc(C2(C)OCCO2)cc1
InChIInChI=1S/C12H16O3/c1-3-13-11-6-4-10(5-7-11)12(2)14-8-9-15-12/h4-7H,3,8-9H2,1-2H3
InChIKeyBVQQXJZRQQCELG-UHFFFAOYSA-N
XLogP2.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83701496
4-(2-methyl-1,3-dioxolan-2-yl)benzenethiol
CID 18996070
2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 83959424
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
[2-(4-ethoxyphenyl)-2-methylcyclopropyl]methanol
CID 81358295
1-(4-ethoxyphenyl)cyclopent-3-en-1-amine
CID 65353108
[2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine
CID 58428365
3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine
CID 55063190
2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958916
2-[5-[(4-fluorophenoxy)methyl]furan-3-yl]-2-methyl-1,3-dioxolane
CID 90749847
1-(4-ethoxyphenyl)-2-methylcyclopropan-1-ol
CID 79332202
2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane
CID 83949742

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane (CID 82126602) is 2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane is CCOc1ccc(C2(C)OCCO2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane?
The InChIKey is BVQQXJZRQQCELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-13-11-6-4-10(5-7-11)12(2)14-8-9-15-12/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane?
2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane has a molecular weight of 208.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 82126602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).