(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate

C18H18O5 — CID 23012920

IUPAC(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(C(=O)Oc2ccccc2C(C)=O)cc1
InChIInChI=1S/C18H18O5/c1-13(19)16-5-3-4-6-17(16)23-18(20)14-7-9-15(10-8-14)22-12-11-21-2/h3-10H,11-12H2,1-2H3
InChIKeyZLQSFMSRBAVMOW-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.13
Rot. Bonds7

About (2-acetylphenyl) 4-(2-methoxyethoxy)benzoate

(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate (PubChem CID 23012920) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2-acetylphenyl) 4-(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Name(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate
PubChem CID23012920
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(C(=O)Oc2ccccc2C(C)=O)cc1
InChIInChI=1S/C18H18O5/c1-13(19)16-5-3-4-6-17(16)23-18(20)14-7-9-15(10-8-14)22-12-11-21-2/h3-10H,11-12H2,1-2H3
InChIKeyZLQSFMSRBAVMOW-UHFFFAOYSA-N
XLogP3.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.13
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

(2-acetylphenyl) 4-(2-phenylethoxy)benzoate
CID 23012287
(2,3-dimethylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012904
ethyl 2-(4-propoxybenzoyl)oxybenzoate
CID 23011682
[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate
CID 17151540
2-phenoxyethyl 2-benzoyloxybenzoate
CID 17138536
(2-acetylphenyl) naphthalene-2-carboxylate
CID 67194718
methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate
CID 47056930
2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
CID 17138527
(2-acetylphenyl) 3-bromo-4-butoxybenzoate
CID 23012217
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate
CID 23012898
(2-acetylphenyl) 4-heptylbenzoate
CID 11724708

Frequently Asked Questions

What is the IUPAC name of (2-acetylphenyl) 4-(2-methoxyethoxy)benzoate?
The IUPAC name of (2-acetylphenyl) 4-(2-methoxyethoxy)benzoate (CID 23012920) is (2-acetylphenyl) 4-(2-methoxyethoxy)benzoate.
What is the SMILES notation for (2-acetylphenyl) 4-(2-methoxyethoxy)benzoate?
The canonical SMILES for (2-acetylphenyl) 4-(2-methoxyethoxy)benzoate is COCCOc1ccc(C(=O)Oc2ccccc2C(C)=O)cc1.
What is the InChIKey of (2-acetylphenyl) 4-(2-methoxyethoxy)benzoate?
The InChIKey is ZLQSFMSRBAVMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-13(19)16-5-3-4-6-17(16)23-18(20)14-7-9-15(10-8-14)22-12-11-21-2/h3-10H,11-12H2,1-2H3.
What are the key properties of (2-acetylphenyl) 4-(2-methoxyethoxy)benzoate?
(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate has a molecular weight of 314.34 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetylphenyl) 4-(2-methoxyethoxy)benzoate is sourced from PubChem (CID 23012920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).