4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol

C12H16O4 — CID 57358374

IUPAC4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
SMILESCOc1cc(C2OC(C)C(C)O2)ccc1O
InChIInChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3
InChIKeyJZJHVHUFPUYAJF-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.22
Rot. Bonds2

About 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol

4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol (PubChem CID 57358374) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
PubChem CID57358374
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
SMILESCOc1cc(C2OC(C)C(C)O2)ccc1O
InChIInChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3
InChIKeyJZJHVHUFPUYAJF-UHFFFAOYSA-N
XLogP2.22
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol?
The IUPAC name of 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol (CID 57358374) is 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol?
The canonical SMILES for 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol is COc1cc(C2OC(C)C(C)O2)ccc1O.
What is the InChIKey of 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol?
The InChIKey is JZJHVHUFPUYAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3.
What are the key properties of 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol?
4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol has a molecular weight of 224.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol is sourced from PubChem (CID 57358374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).