[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate

C17H18O3 — CID 22081615

IUPAC[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
SMILESCOc1ccc(CCc2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-13(18)20-17-11-7-15(8-12-17)4-3-14-5-9-16(19-2)10-6-14/h5-12H,3-4H2,1-2H3
InChIKeyCLSOMOBALGZAGQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.41
Rot. Bonds5

About [4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate

[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate (PubChem CID 22081615) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
PubChem CID22081615
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
SMILESCOc1ccc(CCc2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-13(18)20-17-11-7-15(8-12-17)4-3-14-5-9-16(19-2)10-6-14/h5-12H,3-4H2,1-2H3
InChIKeyCLSOMOBALGZAGQ-UHFFFAOYSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate
CID 59772013
[4-[[4-[4-[(4-methoxyphenyl)methyl]phenoxy]carbonyloxyphenyl]methyl]phenyl] acetate
CID 158229898
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
[4-(2-chloroethyl)phenyl] acetate
CID 11847845
[4-[(3R)-3-hydroxy-7-(4-methoxyphenyl)heptyl]phenyl] acetate
CID 46918951
2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807591
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
(4-decylphenyl) acetate
CID 57064765
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
[4-(3,4-dioxobutyl)phenyl] acetate
CID 171063043
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate?
The IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate (CID 22081615) is [4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate?
The canonical SMILES for [4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate is COc1ccc(CCc2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate?
The InChIKey is CLSOMOBALGZAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13(18)20-17-11-7-15(8-12-17)4-3-14-5-9-16(19-2)10-6-14/h5-12H,3-4H2,1-2H3.
What are the key properties of [4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate?
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate has a molecular weight of 270.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate is sourced from PubChem (CID 22081615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).