methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate

C19H22O5 — CID 52891591

IUPACmethyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCCOc1c(C)cccc1C
InChIInChI=1S/C19H22O5/c1-13-6-5-7-14(2)18(13)24-11-10-23-17-12-15(21-3)8-9-16(17)19(20)22-4/h5-9,12H,10-11H2,1-4H3
InChIKeyFWHCITOHPYYHLM-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.56
Rot. Bonds7

About methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate

methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate (PubChem CID 52891591) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate
PubChem CID52891591
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Namemethyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCCOc1c(C)cccc1C
InChIInChI=1S/C19H22O5/c1-13-6-5-7-14(2)18(13)24-11-10-23-17-12-15(21-3)8-9-16(17)19(20)22-4/h5-9,12H,10-11H2,1-4H3
InChIKeyFWHCITOHPYYHLM-UHFFFAOYSA-N
XLogP3.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.56
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-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
CID 78766506
methyl 2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzoate
CID 7705076
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 22683597
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate
CID 91190692
3-[2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 20993694
1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
CID 67337211
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate (CID 52891591) is methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCCOc1c(C)cccc1C.
What is the InChIKey of methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate?
The InChIKey is FWHCITOHPYYHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-13-6-5-7-14(2)18(13)24-11-10-23-17-12-15(21-3)8-9-16(17)19(20)22-4/h5-9,12H,10-11H2,1-4H3.
What are the key properties of methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate?
methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate has a molecular weight of 330.38 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate is sourced from PubChem (CID 52891591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).