methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate

C17H18O5 — CID 78766507

IUPACmethyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
SMILESCOC(=O)c1ccc(OC)cc1OCCOc1ccccc1
InChIInChI=1S/C17H18O5/c1-19-14-8-9-15(17(18)20-2)16(12-14)22-11-10-21-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyAUYYCMWWAUWLJD-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.94
Rot. Bonds7

About methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate

methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate (PubChem CID 78766507) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
PubChem CID78766507
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namemethyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
SMILESCOC(=O)c1ccc(OC)cc1OCCOc1ccccc1
InChIInChI=1S/C17H18O5/c1-19-14-8-9-15(17(18)20-2)16(12-14)22-11-10-21-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyAUYYCMWWAUWLJD-UHFFFAOYSA-N
XLogP2.94
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.94
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 2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzoate
CID 7705076
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
CID 78766506
methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate
CID 52891591
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate
CID 7705020
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
methyl 3-amino-2-(2-phenoxyethoxy)benzoate
CID 115935668

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate?
The IUPAC name of methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate (CID 78766507) is methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate.
What is the SMILES notation for methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate?
The canonical SMILES for methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate is COC(=O)c1ccc(OC)cc1OCCOc1ccccc1.
What is the InChIKey of methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate?
The InChIKey is AUYYCMWWAUWLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-14-8-9-15(17(18)20-2)16(12-14)22-11-10-21-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3.
What are the key properties of methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate?
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate has a molecular weight of 302.33 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate is sourced from PubChem (CID 78766507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).