ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate

C15H22O5 — CID 66322325

IUPACethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate
SMILESCCOC(=O)CCC(C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H22O5/c1-5-20-14(16)8-9-15(2,17)12-7-6-11(18-3)10-13(12)19-4/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyVTZYIWOBUMHJIW-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.25
Rot. Bonds7

About ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate

ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate (PubChem CID 66322325) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate.

Molecular Properties

Compound Nameethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate
PubChem CID66322325
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nameethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate
SMILESCCOC(=O)CCC(C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H22O5/c1-5-20-14(16)8-9-15(2,17)12-7-6-11(18-3)10-13(12)19-4/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyVTZYIWOBUMHJIW-UHFFFAOYSA-N
XLogP2.25
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate 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

(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62774366
ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62397793
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
CID 24727597
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
methyl 3-amino-3-(2,4-dimethoxyphenyl)butanoate
CID 79849072
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682
ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate
CID 66321481
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate?
The IUPAC name of ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate (CID 66322325) is ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate.
What is the SMILES notation for ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate?
The canonical SMILES for ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate is CCOC(=O)CCC(C)(O)c1ccc(OC)cc1OC.
What is the InChIKey of ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate?
The InChIKey is VTZYIWOBUMHJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-5-20-14(16)8-9-15(2,17)12-7-6-11(18-3)10-13(12)19-4/h6-7,10,17H,5,8-9H2,1-4H3.
What are the key properties of ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate?
ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate has a molecular weight of 282.34 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate is sourced from PubChem (CID 66322325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).