methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate

C19H20O7 — CID 54212721

IUPACmethyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(OCc2cc(OC)ccc2OC)ccc1OC(C)=O
InChIInChI=1S/C19H20O7/c1-12(20)26-18-8-6-15(10-16(18)19(21)24-4)25-11-13-9-14(22-2)5-7-17(13)23-3/h5-10H,11H2,1-4H3
InChIKeyPXBCFRFMDIGOLN-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.99
Rot. Bonds7

About methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate

methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate (PubChem CID 54212721) has the molecular formula C19H20O7 and a molecular weight of 360.36 g/mol. Its IUPAC name is methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate
PubChem CID54212721
Molecular FormulaC19H20O7
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Namemethyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(OCc2cc(OC)ccc2OC)ccc1OC(C)=O
InChIInChI=1S/C19H20O7/c1-12(20)26-18-8-6-15(10-16(18)19(21)24-4)25-11-13-9-14(22-2)5-7-17(13)23-3/h5-10H,11H2,1-4H3
InChIKeyPXBCFRFMDIGOLN-UHFFFAOYSA-N
XLogP2.99
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate
CID 7705078
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
(E)-1-(2,5-dimethoxyphenyl)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19568773
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523
methyl 2-(2,5-diacetyloxybenzoyl)benzoate
CID 67632321
[2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate
CID 59680629
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
methyl 2-acetyloxy-4-butoxybenzoate
CID 46841949
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate
CID 16563809

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate?
The IUPAC name of methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate (CID 54212721) is methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate?
The canonical SMILES for methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate is COC(=O)c1cc(OCc2cc(OC)ccc2OC)ccc1OC(C)=O.
What is the InChIKey of methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate?
The InChIKey is PXBCFRFMDIGOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O7/c1-12(20)26-18-8-6-15(10-16(18)19(21)24-4)25-11-13-9-14(22-2)5-7-17(13)23-3/h5-10H,11H2,1-4H3.
What are the key properties of methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate?
methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate has a molecular weight of 360.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate is sourced from PubChem (CID 54212721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).