2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane

C18H20O4 — CID 85187741

IUPAC2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane
SMILESCOc1ccc(C2OC(C)C(c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C18H20O4/c1-12-17(13-4-8-15(19-2)9-5-13)22-18(21-12)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3
InChIKeyLYZZEJQTEOAYRE-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.88
Rot. Bonds4

About 2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane

2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane (PubChem CID 85187741) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane
PubChem CID85187741
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane
SMILESCOc1ccc(C2OC(C)C(c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C18H20O4/c1-12-17(13-4-8-15(19-2)9-5-13)22-18(21-12)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3
InChIKeyLYZZEJQTEOAYRE-UHFFFAOYSA-N
XLogP3.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane?
The IUPAC name of 2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane (CID 85187741) is 2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane.
What is the SMILES notation for 2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane?
The canonical SMILES for 2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane is COc1ccc(C2OC(C)C(c3ccc(OC)cc3)O2)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane?
The InChIKey is LYZZEJQTEOAYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-12-17(13-4-8-15(19-2)9-5-13)22-18(21-12)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3.
What are the key properties of 2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane?
2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane has a molecular weight of 300.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane is sourced from PubChem (CID 85187741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).