2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate

C18H20O5 — CID 46805086

IUPAC2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCCOc2cc(C)cc(C)c2)c1O
InChIInChI=1S/C18H20O5/c1-12-9-13(2)11-14(10-12)22-7-8-23-18(20)15-5-4-6-16(21-3)17(15)19/h4-6,9-11,19H,7-8H2,1-3H3
InChIKeyWSKIXIDAKVGBTB-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.25
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate

2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate (PubChem CID 46805086) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
PubChem CID46805086
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCCOc2cc(C)cc(C)c2)c1O
InChIInChI=1S/C18H20O5/c1-12-9-13(2)11-14(10-12)22-7-8-23-18(20)15-5-4-6-16(21-3)17(15)19/h4-6,9-11,19H,7-8H2,1-3H3
InChIKeyWSKIXIDAKVGBTB-UHFFFAOYSA-N
XLogP3.25
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,5-dimethylphenoxy)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-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
CID 29183554
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18193579
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-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate
CID 30764598
2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20986801
2-(3,5-dimethylphenoxy)ethyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 8666255
2-(3-chlorophenoxy)ethyl 2,3,4-trimethoxybenzoate
CID 16523899
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18076092
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075577

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate?
The IUPAC name of 2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate (CID 46805086) is 2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for 2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate is COc1cccc(C(=O)OCCOc2cc(C)cc(C)c2)c1O.
What is the InChIKey of 2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate?
The InChIKey is WSKIXIDAKVGBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-12-9-13(2)11-14(10-12)22-7-8-23-18(20)15-5-4-6-16(21-3)17(15)19/h4-6,9-11,19H,7-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate?
2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate has a molecular weight of 316.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 46805086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).