methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate

C12H16O3 — CID 69115976

IUPACmethyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
SMILESCCc1cc(O)ccc1CCC(=O)OC
InChIInChI=1S/C12H16O3/c1-3-9-8-11(13)6-4-10(9)5-7-12(14)15-2/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyZAGMLJLALQHDOR-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.06
Rot. Bonds4

About methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate

methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate (PubChem CID 69115976) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
PubChem CID69115976
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
SMILESCCc1cc(O)ccc1CCC(=O)OC
InChIInChI=1S/C12H16O3/c1-3-9-8-11(13)6-4-10(9)5-7-12(14)15-2/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyZAGMLJLALQHDOR-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-ethoxy-2-ethylphenyl)propanoate
CID 82552040
methyl 3-[4-hydroxy-2-[(propan-2-yloxycarbonylamino)methyl]phenyl]propanoate
CID 58978962
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl 3-(4-bromo-2-hydroxyphenyl)propanoate
CID 154733783
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
methyl 3-(3-ethyl-4-pyridinyl)propanoate
CID 174235269
methyl 3-(2-amino-3-ethylphenyl)propanoate
CID 138486943
methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate
CID 174377629
methyl 3-(2-ethylbenzene-4-id-1-yl)propanoate;tungsten
CID 59822807
methyl 3-[4-bromo-2-(bromomethyl)phenyl]propanoate
CID 131473827
methyl (2S)-3-(2-ethyl-4-hydroxyphenyl)-2-methylpropanoate
CID 134580652
methyl 3-[4-(difluoromethyl)-2-iodophenyl]propanoate
CID 134634691

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate?
The IUPAC name of methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate (CID 69115976) is methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate is CCc1cc(O)ccc1CCC(=O)OC.
What is the InChIKey of methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate?
The InChIKey is ZAGMLJLALQHDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-9-8-11(13)6-4-10(9)5-7-12(14)15-2/h4,6,8,13H,3,5,7H2,1-2H3.
What are the key properties of methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate?
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate has a molecular weight of 208.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 69115976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).