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

C23H22O4 — CID 70620715

IUPAC2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
SMILESCc1ccc(C2(COc3ccc(Oc4ccccc4)cc3)OCCO2)cc1
InChIInChI=1S/C23H22O4/c1-18-7-9-19(10-8-18)23(25-15-16-26-23)17-24-20-11-13-22(14-12-20)27-21-5-3-2-4-6-21/h2-14H,15-17H2,1H3
InChIKeySPXJSVLRBOXYNC-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.07
Rot. Bonds6

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

2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane (PubChem CID 70620715) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
PubChem CID70620715
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
SMILESCc1ccc(C2(COc3ccc(Oc4ccccc4)cc3)OCCO2)cc1
InChIInChI=1S/C23H22O4/c1-18-7-9-19(10-8-18)23(25-15-16-26-23)17-24-20-11-13-22(14-12-20)27-21-5-3-2-4-6-21/h2-14H,15-17H2,1H3
InChIKeySPXJSVLRBOXYNC-UHFFFAOYSA-N
XLogP5.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The IUPAC name of 2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane (CID 70620715) is 2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The canonical SMILES for 2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane is Cc1ccc(C2(COc3ccc(Oc4ccccc4)cc3)OCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The InChIKey is SPXJSVLRBOXYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-18-7-9-19(10-8-18)23(25-15-16-26-23)17-24-20-11-13-22(14-12-20)27-21-5-3-2-4-6-21/h2-14H,15-17H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane has a molecular weight of 362.43 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane is sourced from PubChem (CID 70620715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).