benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate

C19H20O6 — CID 58984680

IUPACbenzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate
SMILESCOc1cc(OCCOC(C)=O)ccc1C(=O)OCc1ccccc1
InChIInChI=1S/C19H20O6/c1-14(20)23-10-11-24-16-8-9-17(18(12-16)22-2)19(21)25-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyZVAFLWVZAWIVOT-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.99
Rot. Bonds8

About benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate

benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate (PubChem CID 58984680) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate.

Molecular Properties

Compound Namebenzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate
PubChem CID58984680
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Namebenzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate
SMILESCOc1cc(OCCOC(C)=O)ccc1C(=O)OCc1ccccc1
InChIInChI=1S/C19H20O6/c1-14(20)23-10-11-24-16-8-9-17(18(12-16)22-2)19(21)25-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyZVAFLWVZAWIVOT-UHFFFAOYSA-N
XLogP2.99
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
benzyl 4-bromo-2-(2-methoxyethoxy)benzoate
CID 162393059
2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate
CID 150506758
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
2-(4-bromophenoxy)ethyl 3-methoxynaphthalene-2-carboxylate
CID 2416862
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
benzyl 2-ethoxy-4-iodobenzoate
CID 154376302
benzyl 4-methoxy-2-piperidin-4-yloxybenzoate
CID 71586561

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate?
The IUPAC name of benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate (CID 58984680) is benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate.
What is the SMILES notation for benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate?
The canonical SMILES for benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate is COc1cc(OCCOC(C)=O)ccc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate?
The InChIKey is ZVAFLWVZAWIVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-14(20)23-10-11-24-16-8-9-17(18(12-16)22-2)19(21)25-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate?
benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate has a molecular weight of 344.36 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate is sourced from PubChem (CID 58984680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).