ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate

C19H22O5 — CID 139988094

IUPACethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(O)cc1OCc1ccccc1OC
InChIInChI=1S/C19H22O5/c1-3-23-19(21)11-9-14-8-10-16(20)12-18(14)24-13-15-6-4-5-7-17(15)22-2/h4-8,10,12,20H,3,9,11,13H2,1-2H3
InChIKeyVHIKCSYPTAGAOV-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.48
Rot. Bonds8

About ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate

ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate (PubChem CID 139988094) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate
PubChem CID139988094
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Nameethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(O)cc1OCc1ccccc1OC
InChIInChI=1S/C19H22O5/c1-3-23-19(21)11-9-14-8-10-16(20)12-18(14)24-13-15-6-4-5-7-17(15)22-2/h4-8,10,12,20H,3,9,11,13H2,1-2H3
InChIKeyVHIKCSYPTAGAOV-UHFFFAOYSA-N
XLogP3.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate 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

ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate
CID 139988229
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 5-(2-methoxyphenyl)pentanoate;5-(2-methoxyphenyl)pentanoic acid
CID 161019500
ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate
CID 16560398
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate
CID 59684927
4-[(2-bromophenoxy)methyl]-3-methoxyphenol
CID 117219537
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871120
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate?
The IUPAC name of ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate (CID 139988094) is ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate is CCOC(=O)CCc1ccc(O)cc1OCc1ccccc1OC.
What is the InChIKey of ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate?
The InChIKey is VHIKCSYPTAGAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-3-23-19(21)11-9-14-8-10-16(20)12-18(14)24-13-15-6-4-5-7-17(15)22-2/h4-8,10,12,20H,3,9,11,13H2,1-2H3.
What are the key properties of ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate?
ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate has a molecular weight of 330.38 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 139988094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).