2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate

C17H18O5 — CID 29183554

IUPAC2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCCOc2ccc(C)cc2)c1O
InChIInChI=1S/C17H18O5/c1-12-6-8-13(9-7-12)21-10-11-22-17(19)14-4-3-5-15(20-2)16(14)18/h3-9,18H,10-11H2,1-2H3
InChIKeyWPELRNJPRXIBEN-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.95
Rot. Bonds6

About 2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate

2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate (PubChem CID 29183554) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
PubChem CID29183554
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCCOc2ccc(C)cc2)c1O
InChIInChI=1S/C17H18O5/c1-12-6-8-13(9-7-12)21-10-11-22-17(19)14-4-3-5-15(20-2)16(14)18/h3-9,18H,10-11H2,1-2H3
InChIKeyWPELRNJPRXIBEN-UHFFFAOYSA-N
XLogP2.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
CID 46805086
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18193579
3-methoxy-2-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 20991667
2-(3-bromophenoxy)ethyl 2-methoxybenzoate
CID 55318537
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075718
[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075546
2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate
CID 17138554
2-(4-chlorophenoxy)ethyl 2,4,5-trimethoxybenzoate
CID 2488036
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18201736
N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate?
The IUPAC name of 2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate (CID 29183554) is 2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate is COc1cccc(C(=O)OCCOc2ccc(C)cc2)c1O.
What is the InChIKey of 2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate?
The InChIKey is WPELRNJPRXIBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-12-6-8-13(9-7-12)21-10-11-22-17(19)14-4-3-5-15(20-2)16(14)18/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate?
2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate has a molecular weight of 302.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 29183554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).