[2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate

C19H22O4 — CID 59680629

IUPAC[2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate
SMILESCCc1cc(Oc2ccc(OC(C)=O)c(CC)c2)ccc1OC
InChIInChI=1S/C19H22O4/c1-5-14-11-16(7-9-18(14)21-4)23-17-8-10-19(22-13(3)20)15(6-2)12-17/h7-12H,5-6H2,1-4H3
InChIKeyYTOPLEAMJODMDX-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.54
Rot. Bonds6

About [2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate

[2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate (PubChem CID 59680629) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is [2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate.

Molecular Properties

Compound Name[2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate
PubChem CID59680629
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name[2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate
SMILESCCc1cc(Oc2ccc(OC(C)=O)c(CC)c2)ccc1OC
InChIInChI=1S/C19H22O4/c1-5-14-11-16(7-9-18(14)21-4)23-17-8-10-19(22-13(3)20)15(6-2)12-17/h7-12H,5-6H2,1-4H3
InChIKeyYTOPLEAMJODMDX-UHFFFAOYSA-N
XLogP4.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
(3,4-dimethoxyphenyl) acetate
CID 593001
[4-methoxy-2-[(2S)-2-methyl-3-oxobutyl]phenyl] acetate
CID 132990171
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
(4-acetyloxy-3-heptylphenyl) acetate
CID 15642754
[3-[2-[acetyl(methyl)amino]propyl]-4-acetyloxyphenyl] acetate
CID 6430863
methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate
CID 54212721
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
[4-[4-[3-[4-(4-methoxy-3-methylphenyl)phenoxy]phenoxy]phenyl]-2-methylphenyl] acetate
CID 126759741
(2-ethyl-3-fluoro-4-methoxyphenyl) acetate
CID 18466568
(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate?
The IUPAC name of [2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate (CID 59680629) is [2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate.
What is the SMILES notation for [2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate?
The canonical SMILES for [2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate is CCc1cc(Oc2ccc(OC(C)=O)c(CC)c2)ccc1OC.
What is the InChIKey of [2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate?
The InChIKey is YTOPLEAMJODMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-5-14-11-16(7-9-18(14)21-4)23-17-8-10-19(22-13(3)20)15(6-2)12-17/h7-12H,5-6H2,1-4H3.
What are the key properties of [2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate?
[2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate has a molecular weight of 314.38 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate is sourced from PubChem (CID 59680629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).