methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate

C21H24O8 — CID 15167932

IUPACmethyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
SMILESCOC(=O)c1ccc(OCCCOc2ccc(C(=O)OC)cc2OC)c(OC)c1
InChIInChI=1S/C21H24O8/c1-24-18-12-14(20(22)26-3)6-8-16(18)28-10-5-11-29-17-9-7-15(21(23)27-4)13-19(17)25-2/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyFORYWZPUVBNMMZ-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.12
Rot. Bonds10

About methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate

methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate (PubChem CID 15167932) has the molecular formula C21H24O8 and a molecular weight of 404.42 g/mol. Its IUPAC name is methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
PubChem CID15167932
Molecular FormulaC21H24O8
Molecular Weight404.42 g/mol
Exact Mass404.15
IUPAC Namemethyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
SMILESCOC(=O)c1ccc(OCCCOc2ccc(C(=O)OC)cc2OC)c(OC)c1
InChIInChI=1S/C21H24O8/c1-24-18-12-14(20(22)26-3)6-8-16(18)28-10-5-11-29-17-9-7-15(21(23)27-4)13-19(17)25-2/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyFORYWZPUVBNMMZ-UHFFFAOYSA-N
XLogP3.12
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 4-(4-ethoxy-4-oxobutoxy)-3-methoxybenzoate
CID 164672797
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
carbon dioxide;methyl 4-[3-(2-methoxy-4-methylphenoxy)propoxy]-3-methylbenzoate
CID 123232367
methyl 3-(4-bromobutoxy)-4-methoxybenzoate
CID 168958426
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
ethane;methyl 4-(cyanomethoxy)-3-methoxybenzoate
CID 144796187
3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408909
ethane;methyl 3-methoxy-4-prop-2-ynoxybenzoate
CID 156726713
methyl 4-[2-(3-bromophenoxy)ethoxy]-3-methoxybenzoate
CID 7694604

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate?
The IUPAC name of methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate (CID 15167932) is methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate is COC(=O)c1ccc(OCCCOc2ccc(C(=O)OC)cc2OC)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate?
The InChIKey is FORYWZPUVBNMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O8/c1-24-18-12-14(20(22)26-3)6-8-16(18)28-10-5-11-29-17-9-7-15(21(23)27-4)13-19(17)25-2/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate?
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate has a molecular weight of 404.42 g/mol, XLogP of 3.12, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate is sourced from PubChem (CID 15167932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).