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

C14H20O5 — CID 18987060

IUPACethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20O5/c1-5-19-13(15)14(2,16)9-10-6-7-11(17-3)12(8-10)18-4/h6-8,16H,5,9H2,1-4H3
InChIKeyJNROPZICUQNFPZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.56
Rot. Bonds6

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

ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate (PubChem CID 18987060) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate
PubChem CID18987060
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nameethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20O5/c1-5-19-13(15)14(2,16)9-10-6-7-11(17-3)12(8-10)18-4/h6-8,16H,5,9H2,1-4H3
InChIKeyJNROPZICUQNFPZ-UHFFFAOYSA-N
XLogP1.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973824
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate
CID 95980819
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid;hydrochloride
CID 154832939
4-(3,4-dimethoxyphenyl)-3-(ethylamino)-3-methylbutanoic acid
CID 65233704
2,3-bis[(3,4-dimethoxyphenyl)methyl]-4-ethoxy-4-oxobut-2-enoic acid
CID 3657660
4-(3,4-dimethoxyphenyl)-2-fluoro-3-hydroxy-3-methylbutanoic acid
CID 79366258
ethyl 2-[(3-bromo-4-methoxyphenyl)methyl]-2-methylbut-3-enoate
CID 102639129
1-bromo-3-(3,4-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-ol
CID 107140181
ethyl 2-[2-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]-2-methylpropanoate
CID 23563104
N-butyl-N-[(3,4-dimethoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 18736111
ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate?
The IUPAC name of ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate (CID 18987060) is ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate?
The canonical SMILES for ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate is CCOC(=O)C(C)(O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate?
The InChIKey is JNROPZICUQNFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-5-19-13(15)14(2,16)9-10-6-7-11(17-3)12(8-10)18-4/h6-8,16H,5,9H2,1-4H3.
What are the key properties of ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate?
ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate has a molecular weight of 268.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 18987060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).