2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane

C18H20O3 — CID 67069160

IUPAC2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane
SMILESCCc1ccccc1OCc1ccccc1C1OCCO1
InChIInChI=1S/C18H20O3/c1-2-14-7-4-6-10-17(14)21-13-15-8-3-5-9-16(15)18-19-11-12-20-18/h3-10,18H,2,11-13H2,1H3
InChIKeyPAIJFTKSPXPHGO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.87
Rot. Bonds5

About 2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane

2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane (PubChem CID 67069160) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane
PubChem CID67069160
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane
SMILESCCc1ccccc1OCc1ccccc1C1OCCO1
InChIInChI=1S/C18H20O3/c1-2-14-7-4-6-10-17(14)21-13-15-8-3-5-9-16(15)18-19-11-12-20-18/h3-10,18H,2,11-13H2,1H3
InChIKeyPAIJFTKSPXPHGO-UHFFFAOYSA-N
XLogP3.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane
CID 67069163
2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid
CID 10262496
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane
CID 66692910
2-[2-(1,3-dioxolan-2-yl)phenoxy]ethanol
CID 170873933
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
2,3-bis[(2-ethylphenoxy)methyl]phenol
CID 67177980
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
2-(2-ethyl-4-methylphenyl)-1,3-dioxolane
CID 123214481
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane (CID 67069160) is 2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane is CCc1ccccc1OCc1ccccc1C1OCCO1.
What is the InChIKey of 2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane?
The InChIKey is PAIJFTKSPXPHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-14-7-4-6-10-17(14)21-13-15-8-3-5-9-16(15)18-19-11-12-20-18/h3-10,18H,2,11-13H2,1H3.
What are the key properties of 2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane?
2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane has a molecular weight of 284.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 67069160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).