2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane

C18H20O4 — CID 19989572

IUPAC2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane
SMILESCc1ccc(OCCOc2ccc(C3OCCO3)cc2)cc1
InChIInChI=1S/C18H20O4/c1-14-2-6-16(7-3-14)19-10-11-20-17-8-4-15(5-9-17)18-21-12-13-22-18/h2-9,18H,10-13H2,1H3
InChIKeyXTFIUOLAGIPFQY-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.50
Rot. Bonds6

About 2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane

2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane (PubChem CID 19989572) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane
PubChem CID19989572
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane
SMILESCc1ccc(OCCOc2ccc(C3OCCO3)cc2)cc1
InChIInChI=1S/C18H20O4/c1-14-2-6-16(7-3-14)19-10-11-20-17-8-4-15(5-9-17)18-21-12-13-22-18/h2-9,18H,10-13H2,1H3
InChIKeyXTFIUOLAGIPFQY-UHFFFAOYSA-N
XLogP3.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-but-3-enoxyphenyl)-1,3-dioxolane
CID 134895212
2-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]-1,3-dioxolane
CID 172830179
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
2-[4-(4-chlorobut-2-ynoxy)phenyl]-1,3-dioxolane
CID 53406475
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane
CID 23041443
2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane
CID 143637417
2-[4-(3-fluoropropoxy)phenyl]-5-methyl-1,3-dioxane
CID 144978945
4-[[4-(1,3-dioxolan-2-yl)phenoxy]methyl]benzonitrile
CID 19989628
2-(4-butoxyphenyl)-4-pentyl-1,3-dioxane
CID 23041609

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane (CID 19989572) is 2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane is Cc1ccc(OCCOc2ccc(C3OCCO3)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane?
The InChIKey is XTFIUOLAGIPFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-14-2-6-16(7-3-14)19-10-11-20-17-8-4-15(5-9-17)18-21-12-13-22-18/h2-9,18H,10-13H2,1H3.
What are the key properties of 2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane?
2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane has a molecular weight of 300.35 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane is sourced from PubChem (CID 19989572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).