ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate

C14H18O4 — CID 42629411

IUPACethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate
SMILESCCCC(=O)c1cc(O)ccc1CC(=O)OCC
InChIInChI=1S/C14H18O4/c1-3-5-13(16)12-9-11(15)7-6-10(12)8-14(17)18-4-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyPIDDUSISJGCUGN-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.48
Rot. Bonds6

About ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate

ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate (PubChem CID 42629411) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate
PubChem CID42629411
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate
SMILESCCCC(=O)c1cc(O)ccc1CC(=O)OCC
InChIInChI=1S/C14H18O4/c1-3-5-13(16)12-9-11(15)7-6-10(12)8-14(17)18-4-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyPIDDUSISJGCUGN-UHFFFAOYSA-N
XLogP2.48
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate
CID 141184815
ethyl 2-(4-methoxy-2-octanoylphenyl)acetate
CID 153405787
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 118437547
ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641178
ethyl 4-hydroxy-2-propylbenzoate
CID 66937592
pentyl 2-(2-butanoyl-4-phenylmethoxyphenyl)acetate
CID 141184811
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
2-(2-ethoxy-2-oxoethyl)-5-fluorobenzoic acid
CID 169448838
ethyl (2S)-2-[(4-hydroxy-2-methylphenyl)methyl]butanoate
CID 129390937
(2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate
CID 129105672
ethyl 2-[4-(3-chloropropanoyl)-3-methylphenyl]acetate
CID 134633166

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate (CID 42629411) is ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate is CCCC(=O)c1cc(O)ccc1CC(=O)OCC.
What is the InChIKey of ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate?
The InChIKey is PIDDUSISJGCUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-5-13(16)12-9-11(15)7-6-10(12)8-14(17)18-4-2/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate?
ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate has a molecular weight of 250.29 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate is sourced from PubChem (CID 42629411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).