ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate

C16H24O5 — CID 62397793

IUPACethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
SMILESCCOC(=O)C(C)(C)C(C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H24O5/c1-7-21-14(17)15(2,3)16(4,18)12-9-8-11(19-5)10-13(12)20-6/h8-10,18H,7H2,1-6H3
InChIKeyFPQRQCLAJLUHOI-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.50
Rot. Bonds6

About ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate

ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate (PubChem CID 62397793) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
PubChem CID62397793
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Nameethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
SMILESCCOC(=O)C(C)(C)C(C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H24O5/c1-7-21-14(17)15(2,3)16(4,18)12-9-8-11(19-5)10-13(12)20-6/h8-10,18H,7H2,1-6H3
InChIKeyFPQRQCLAJLUHOI-UHFFFAOYSA-N
XLogP2.50
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate 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-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate
CID 66322325
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004
methyl 3-amino-3-(2,4-dimethoxyphenyl)butanoate
CID 79849072
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 93483561
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
ethyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 10945637
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate
CID 62393818

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate?
The IUPAC name of ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate (CID 62397793) is ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate.
What is the SMILES notation for ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate?
The canonical SMILES for ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate is CCOC(=O)C(C)(C)C(C)(O)c1ccc(OC)cc1OC.
What is the InChIKey of ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate?
The InChIKey is FPQRQCLAJLUHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-7-21-14(17)15(2,3)16(4,18)12-9-8-11(19-5)10-13(12)20-6/h8-10,18H,7H2,1-6H3.
What are the key properties of ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate?
ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate has a molecular weight of 296.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate is sourced from PubChem (CID 62397793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).