methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate

C11H14O5 — CID 141235728

IUPACmethyl 3-hydroxy-4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(C(=O)OC)cc1O
InChIInChI=1S/C11H14O5/c1-14-5-6-16-10-4-3-8(7-9(10)12)11(13)15-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyTUMYOAMLVUGKIB-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.20
Rot. Bonds5

About methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate

methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate (PubChem CID 141235728) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-(2-methoxyethoxy)benzoate
PubChem CID141235728
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethyl 3-hydroxy-4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(C(=O)OC)cc1O
InChIInChI=1S/C11H14O5/c1-14-5-6-16-10-4-3-8(7-9(10)12)11(13)15-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyTUMYOAMLVUGKIB-UHFFFAOYSA-N
XLogP1.20
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
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-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 3-cyano-4-(2-methoxyethoxy)benzoate
CID 163228135
methyl 4-bromo-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 170966297
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
2-(2-methoxyethoxy)-5-methylphenol
CID 89108915
methyl 3-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4-hydroxybenzoate
CID 11347717
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
methyl 3-hydroxy-4-[(2-hydroxy-4-methoxycarbonylphenyl)disulfanyl]benzoate
CID 22351628
methyl 3-amino-4-propoxybenzoate
CID 43380309
methyl 3-(4-bromobutoxy)-4-methoxybenzoate
CID 168958426
methyl 4-(3-hydroxyprop-1-ynyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 174206890
methyl 3-(3-methoxypropoxy)-4-(trifluoromethyl)benzoate
CID 68559841

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate?
The IUPAC name of methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate (CID 141235728) is methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate.
What is the SMILES notation for methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate?
The canonical SMILES for methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate is COCCOc1ccc(C(=O)OC)cc1O.
What is the InChIKey of methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate?
The InChIKey is TUMYOAMLVUGKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-14-5-6-16-10-4-3-8(7-9(10)12)11(13)15-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate?
methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate has a molecular weight of 226.23 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-(2-methoxyethoxy)benzoate is sourced from PubChem (CID 141235728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).