ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate

C11H14O4 — CID 3736140

IUPACethyl 2-hydroxy-2-(4-methoxyphenyl)acetate
SMILESCCOC(=O)C(O)c1ccc(OC)cc1
InChIInChI=1S/C11H14O4/c1-3-15-11(13)10(12)8-4-6-9(14-2)7-5-8/h4-7,10,12H,3H2,1-2H3
InChIKeyNHYLZWVFDNKQRF-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.29
Rot. Bonds4

About ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate

ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate (PubChem CID 3736140) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(4-methoxyphenyl)acetate
PubChem CID3736140
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 2-hydroxy-2-(4-methoxyphenyl)acetate
SMILESCCOC(=O)C(O)c1ccc(OC)cc1
InChIInChI=1S/C11H14O4/c1-3-15-11(13)10(12)8-4-6-9(14-2)7-5-8/h4-7,10,12H,3H2,1-2H3
InChIKeyNHYLZWVFDNKQRF-UHFFFAOYSA-N
XLogP1.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Vanillylmandelic Acid
CID 1245
Homovanillic Acid
CID 1738
4-Methoxybenzoic Acid
CID 7478
(+-)-3-(4-Hydroxyphenyl)lactic acid
CID 9378
Dihydrocapsiate
CID 9873754
(3,4-Dimethoxyphenyl)acetic acid
CID 7139
4-Hydroxy-3-methoxy-mandelic acid
CID 736172
4-Methoxyphenylacetic Acid
CID 7690
(+-)-4-Hydroxymandelic acid
CID 328
Vanillactic Acid
CID 160637
Anisyl phenylacetate
CID 7599
(3-Methoxyphenyl)acetic acid
CID 15719

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate (CID 3736140) is ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate is CCOC(=O)C(O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate?
The InChIKey is NHYLZWVFDNKQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-15-11(13)10(12)8-4-6-9(14-2)7-5-8/h4-7,10,12H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate?
ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate has a molecular weight of 210.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 3736140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).