methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate

C17H18O4 — CID 67257428

IUPACmethyl 4-[2-(2-methoxyethoxy)phenyl]benzoate
SMILESCOCCOc1ccccc1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H18O4/c1-19-11-12-21-16-6-4-3-5-15(16)13-7-9-14(10-8-13)17(18)20-2/h3-10H,11-12H2,1-2H3
InChIKeyCIMWUYPYWKHOPR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.17
Rot. Bonds6

About methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate

methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate (PubChem CID 67257428) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-methoxyethoxy)phenyl]benzoate
PubChem CID67257428
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl 4-[2-(2-methoxyethoxy)phenyl]benzoate
SMILESCOCCOc1ccccc1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H18O4/c1-19-11-12-21-16-6-4-3-5-15(16)13-7-9-14(10-8-13)17(18)20-2/h3-10H,11-12H2,1-2H3
InChIKeyCIMWUYPYWKHOPR-UHFFFAOYSA-N
XLogP3.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-(3-aminopropoxy)phenyl]benzoate
CID 170456514
4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 4-[5-[[2-(4-methoxyphenyl)phenoxy]methyl]-1,2-oxazol-3-yl]benzoate
CID 134847157
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
methyl 4-(2-propanoylphenyl)benzoate
CID 174354570
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate?
The IUPAC name of methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate (CID 67257428) is methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate.
What is the SMILES notation for methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate?
The canonical SMILES for methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate is COCCOc1ccccc1-c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate?
The InChIKey is CIMWUYPYWKHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-11-12-21-16-6-4-3-5-15(16)13-7-9-14(10-8-13)17(18)20-2/h3-10H,11-12H2,1-2H3.
What are the key properties of methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate?
methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate has a molecular weight of 286.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate is sourced from PubChem (CID 67257428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).