[4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate

C19H20O5 — CID 162046568

IUPAC[4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate
SMILESCOCCOc1cccc(CC(=O)c2ccc(OC(C)=O)cc2)c1
InChIInChI=1S/C19H20O5/c1-14(20)24-17-8-6-16(7-9-17)19(21)13-15-4-3-5-18(12-15)23-11-10-22-2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyLUNCYEJGYUJHFF-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.06
Rot. Bonds8

About [4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate

[4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate (PubChem CID 162046568) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate
PubChem CID162046568
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate
SMILESCOCCOc1cccc(CC(=O)c2ccc(OC(C)=O)cc2)c1
InChIInChI=1S/C19H20O5/c1-14(20)24-17-8-6-16(7-9-17)19(21)13-15-4-3-5-18(12-15)23-11-10-22-2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyLUNCYEJGYUJHFF-UHFFFAOYSA-N
XLogP3.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
CID 58531244
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
1-(3-butoxyphenyl)butan-2-one
CID 82161239
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
1-(4-ethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389764
(4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate
CID 129162561
2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834274
(4-propanoylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012931
methyl 2-[3-(2-hydroxyethoxy)phenyl]acetate
CID 134821202
2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821159
(3-methylphenyl) 4-(2-methoxyethoxy)benzoate
CID 17178146
1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43337811

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate?
The IUPAC name of [4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate (CID 162046568) is [4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate.
What is the SMILES notation for [4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate?
The canonical SMILES for [4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate is COCCOc1cccc(CC(=O)c2ccc(OC(C)=O)cc2)c1.
What is the InChIKey of [4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate?
The InChIKey is LUNCYEJGYUJHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-14(20)24-17-8-6-16(7-9-17)19(21)13-15-4-3-5-18(12-15)23-11-10-22-2/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of [4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate?
[4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate has a molecular weight of 328.36 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-(2-methoxyethoxy)phenyl]acetyl]phenyl] acetate is sourced from PubChem (CID 162046568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).