2,2-bis(4-methoxyphenyl)-1,3-dioxolane

C17H18O4 — CID 118323133

IUPAC2,2-bis(4-methoxyphenyl)-1,3-dioxolane
SMILESCOc1ccc(C2(c3ccc(OC)cc3)OCCO2)cc1
InChIInChI=1S/C17H18O4/c1-18-15-7-3-13(4-8-15)17(20-11-12-21-17)14-5-9-16(19-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyAIWGYHHBRPDQLQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.95
Rot. Bonds4

About 2,2-bis(4-methoxyphenyl)-1,3-dioxolane

2,2-bis(4-methoxyphenyl)-1,3-dioxolane (PubChem CID 118323133) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,2-bis(4-methoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-bis(4-methoxyphenyl)-1,3-dioxolane
PubChem CID118323133
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2,2-bis(4-methoxyphenyl)-1,3-dioxolane
SMILESCOc1ccc(C2(c3ccc(OC)cc3)OCCO2)cc1
InChIInChI=1S/C17H18O4/c1-18-15-7-3-13(4-8-15)17(20-11-12-21-17)14-5-9-16(19-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyAIWGYHHBRPDQLQ-UHFFFAOYSA-N
XLogP2.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2,2-bis(4-methoxyphenyl)-1,3-dioxolane (CID 118323133) is 2,2-bis(4-methoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-bis(4-methoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2,2-bis(4-methoxyphenyl)-1,3-dioxolane is COc1ccc(C2(c3ccc(OC)cc3)OCCO2)cc1.
What is the InChIKey of 2,2-bis(4-methoxyphenyl)-1,3-dioxolane?
The InChIKey is AIWGYHHBRPDQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-18-15-7-3-13(4-8-15)17(20-11-12-21-17)14-5-9-16(19-2)10-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 2,2-bis(4-methoxyphenyl)-1,3-dioxolane?
2,2-bis(4-methoxyphenyl)-1,3-dioxolane has a molecular weight of 286.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 118323133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).