2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate

C20H22O7 — CID 154279201

IUPAC2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCOCCOC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22O7/c1-23-17-7-3-15(4-8-17)19(21)26-13-11-25-12-14-27-20(22)16-5-9-18(24-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyOYIHUJANCNBPAK-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.73
Rot. Bonds10

About 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate

2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate (PubChem CID 154279201) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate.

Molecular Properties

Compound Name2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
PubChem CID154279201
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCOCCOC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22O7/c1-23-17-7-3-15(4-8-17)19(21)26-13-11-25-12-14-27-20(22)16-5-9-18(24-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyOYIHUJANCNBPAK-UHFFFAOYSA-N
XLogP2.73
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130305051
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
5-bromopentyl 4-methoxybenzoate
CID 164687331
icosyl 4-methoxybenzoate
CID 71438594
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate
CID 102143178
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate?
The IUPAC name of 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate (CID 154279201) is 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate.
What is the SMILES notation for 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate?
The canonical SMILES for 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate is COc1ccc(C(=O)OCCOCCOC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate?
The InChIKey is OYIHUJANCNBPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O7/c1-23-17-7-3-15(4-8-17)19(21)26-13-11-25-12-14-27-20(22)16-5-9-18(24-2)10-6-16/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate?
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate has a molecular weight of 374.39 g/mol, XLogP of 2.73, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate is sourced from PubChem (CID 154279201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).