2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane

C18H20O4 — CID 4578030

IUPAC2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
SMILESCCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1
InChIInChI=1S/C18H20O4/c1-2-18-20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17-18H,2,12-13H2,1H3
InChIKeyZDOOQPFIGYHZFV-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.01
Rot. Bonds6

About 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane

2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane (PubChem CID 4578030) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
PubChem CID4578030
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
SMILESCCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1
InChIInChI=1S/C18H20O4/c1-2-18-20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17-18H,2,12-13H2,1H3
InChIKeyZDOOQPFIGYHZFV-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bis(2-phenoxyethyl)ether
CID 221769
Benzene, (1-ethoxyethoxy)-
CID 95485
4-Methoxyphenylglucoside
CID 80131
Benzene, (2,2-dimethoxyethoxy)-
CID 105897
(2,2-Diethoxyethoxy)benzene
CID 96328
1-(Pentyloxy)-4-phenoxybenzene
CID 21883856
1-Butoxy-4-phenoxybenzene
CID 44562812
2-(Hydroxymethyl)-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol
CID 380510
1-Ethoxy-4-phenoxybenzene
CID 22111474
1-Methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 1809556
1-Phenoxy-4-(3-prop-2-enoxypropoxy)benzene
CID 14353116
Bis(phenoxyethoxy)methane
CID 83787

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The IUPAC name of 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane (CID 4578030) is 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The canonical SMILES for 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane is CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1.
What is the InChIKey of 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The InChIKey is ZDOOQPFIGYHZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-2-18-20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17-18H,2,12-13H2,1H3.
What are the key properties of 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane has a molecular weight of 300.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane is sourced from PubChem (CID 4578030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).