benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate

C18H18O6 — CID 52644904

IUPACbenzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate
SMILESCOC(=O)COc1cc(C(=O)OCc2ccccc2)ccc1OC
InChIInChI=1S/C18H18O6/c1-21-15-9-8-14(10-16(15)23-12-17(19)22-2)18(20)24-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKeyZZALTGTWLMRGQR-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.60
Rot. Bonds7

About benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate

benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate (PubChem CID 52644904) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate.

Molecular Properties

Compound Namebenzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate
PubChem CID52644904
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Namebenzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate
SMILESCOC(=O)COc1cc(C(=O)OCc2ccccc2)ccc1OC
InChIInChI=1S/C18H18O6/c1-21-15-9-8-14(10-16(15)23-12-17(19)22-2)18(20)24-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKeyZZALTGTWLMRGQR-UHFFFAOYSA-N
XLogP2.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-phenylmethoxybenzamide
CID 22467475
benzyl 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxoethoxy)phenyl]naphthalene-2-carboxylate
CID 19429712
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 7196850
(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 55441877
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 55306280
(4-nitrophenyl)methyl 3-methoxy-4-phenylmethoxybenzoate
CID 2454256
benzyl 3-(3-methoxy-3-oxopropyl)benzoate
CID 155731050
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744

Frequently Asked Questions

What is the IUPAC name of benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate?
The IUPAC name of benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate (CID 52644904) is benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate.
What is the SMILES notation for benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate?
The canonical SMILES for benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate is COC(=O)COc1cc(C(=O)OCc2ccccc2)ccc1OC.
What is the InChIKey of benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate?
The InChIKey is ZZALTGTWLMRGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-21-15-9-8-14(10-16(15)23-12-17(19)22-2)18(20)24-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3.
What are the key properties of benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate?
benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate has a molecular weight of 330.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate is sourced from PubChem (CID 52644904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).