ethyl 4-(2-hydroxyphenyl)butanoate

C12H16O3 — CID 22461645

IUPACethyl 4-(2-hydroxyphenyl)butanoate
SMILESCCOC(=O)CCCc1ccccc1O
InChIInChI=1S/C12H16O3/c1-2-15-12(14)9-5-7-10-6-3-4-8-11(10)13/h3-4,6,8,13H,2,5,7,9H2,1H3
InChIKeyPMAGNPUYRNUCQU-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.28
Rot. Bonds5

About ethyl 4-(2-hydroxyphenyl)butanoate

ethyl 4-(2-hydroxyphenyl)butanoate (PubChem CID 22461645) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 4-(2-hydroxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxyphenyl)butanoate
PubChem CID22461645
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethyl 4-(2-hydroxyphenyl)butanoate
SMILESCCOC(=O)CCCc1ccccc1O
InChIInChI=1S/C12H16O3/c1-2-15-12(14)9-5-7-10-6-3-4-8-11(10)13/h3-4,6,8,13H,2,5,7,9H2,1H3
InChIKeyPMAGNPUYRNUCQU-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate
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ethyl 4-(2-phenylphenyl)butanoate
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ethyl 4-(3-hydroxy-2-nitrophenyl)butanoate
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ethyl 17-(2-aminophenyl)heptadecanoate
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ethane;ethyl 2-(2-hydroxyphenyl)acetate
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ethyl 5-(2-ethoxyphenyl)pentanoate
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ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
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ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
ethyl 4-(2-diphenylphosphanylphenyl)butanoate;hydrobromide
CID 172866097
4-(4-ethoxy-4-oxobutyl)naphthalene-1-carboxylic acid
CID 71469361
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
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ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxyphenyl)butanoate?
The IUPAC name of ethyl 4-(2-hydroxyphenyl)butanoate (CID 22461645) is ethyl 4-(2-hydroxyphenyl)butanoate.
What is the SMILES notation for ethyl 4-(2-hydroxyphenyl)butanoate?
The canonical SMILES for ethyl 4-(2-hydroxyphenyl)butanoate is CCOC(=O)CCCc1ccccc1O.
What is the InChIKey of ethyl 4-(2-hydroxyphenyl)butanoate?
The InChIKey is PMAGNPUYRNUCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-15-12(14)9-5-7-10-6-3-4-8-11(10)13/h3-4,6,8,13H,2,5,7,9H2,1H3.
What are the key properties of ethyl 4-(2-hydroxyphenyl)butanoate?
ethyl 4-(2-hydroxyphenyl)butanoate has a molecular weight of 208.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxyphenyl)butanoate is sourced from PubChem (CID 22461645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).