methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate

C19H22O5 — CID 16614189

IUPACmethyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
SMILESCOC(=O)c1ccc(OCCCCOc2ccccc2OC)cc1
InChIInChI=1S/C19H22O5/c1-21-17-7-3-4-8-18(17)24-14-6-5-13-23-16-11-9-15(10-12-16)19(20)22-2/h3-4,7-12H,5-6,13-14H2,1-2H3
InChIKeyDKGCMNXGWDGEES-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.72
Rot. Bonds9

About methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate

methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate (PubChem CID 16614189) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
PubChem CID16614189
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Namemethyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
SMILESCOC(=O)c1ccc(OCCCCOc2ccccc2OC)cc1
InChIInChI=1S/C19H22O5/c1-21-17-7-3-4-8-18(17)24-14-6-5-13-23-16-11-9-15(10-12-16)19(20)22-2/h3-4,7-12H,5-6,13-14H2,1-2H3
InChIKeyDKGCMNXGWDGEES-UHFFFAOYSA-N
XLogP3.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate
CID 47056930
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
methyl 4-(4-propanoyloxybutoxy)benzoate
CID 58898433
methyl 4-[12-[12-(4-methoxycarbonylphenoxy)dodecyldisulfanyl]dodecoxy]benzoate
CID 102033956
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
methyl 4-(4-oxopentoxy)benzoate
CID 67943009
methyl 4-(4-carbazol-9-ylbutoxy)benzoate
CID 68934986
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate
CID 157094807
methyl 4-[4-(8-bromooctoxy)phenyl]benzoate
CID 21182253

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate?
The IUPAC name of methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate (CID 16614189) is methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate.
What is the SMILES notation for methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate?
The canonical SMILES for methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate is COC(=O)c1ccc(OCCCCOc2ccccc2OC)cc1.
What is the InChIKey of methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate?
The InChIKey is DKGCMNXGWDGEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-21-17-7-3-4-8-18(17)24-14-6-5-13-23-16-11-9-15(10-12-16)19(20)22-2/h3-4,7-12H,5-6,13-14H2,1-2H3.
What are the key properties of methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate?
methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate has a molecular weight of 330.38 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate is sourced from PubChem (CID 16614189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).