2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane

C20H24O3 — CID 67069163

IUPAC2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane
SMILESCC(C)(C)c1ccc(OCc2ccccc2C2OCCO2)cc1
InChIInChI=1S/C20H24O3/c1-20(2,3)16-8-10-17(11-9-16)23-14-15-6-4-5-7-18(15)19-21-12-13-22-19/h4-11,19H,12-14H2,1-3H3
InChIKeyABCYUOJDJQECOU-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.61
Rot. Bonds4

About 2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane

2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane (PubChem CID 67069163) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane
PubChem CID67069163
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane
SMILESCC(C)(C)c1ccc(OCc2ccccc2C2OCCO2)cc1
InChIInChI=1S/C20H24O3/c1-20(2,3)16-8-10-17(11-9-16)23-14-15-6-4-5-7-18(15)19-21-12-13-22-19/h4-11,19H,12-14H2,1-3H3
InChIKeyABCYUOJDJQECOU-UHFFFAOYSA-N
XLogP4.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane (CID 67069163) is 2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane is CC(C)(C)c1ccc(OCc2ccccc2C2OCCO2)cc1.
What is the InChIKey of 2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane?
The InChIKey is ABCYUOJDJQECOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-20(2,3)16-8-10-17(11-9-16)23-14-15-6-4-5-7-18(15)19-21-12-13-22-19/h4-11,19H,12-14H2,1-3H3.
What are the key properties of 2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane?
2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane has a molecular weight of 312.41 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 67069163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).