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

C20H30O4 — CID 141184815

IUPACethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate
SMILESCCCCCCCCCC(=O)c1cc(O)ccc1CC(=O)OCC
InChIInChI=1S/C20H30O4/c1-3-5-6-7-8-9-10-11-19(22)18-15-17(21)13-12-16(18)14-20(23)24-4-2/h12-13,15,21H,3-11,14H2,1-2H3
InChIKeyYKTFNEAJAZXSMK-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.82
Rot. Bonds12

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

ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate (PubChem CID 141184815) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate
PubChem CID141184815
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Nameethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate
SMILESCCCCCCCCCC(=O)c1cc(O)ccc1CC(=O)OCC
InChIInChI=1S/C20H30O4/c1-3-5-6-7-8-9-10-11-19(22)18-15-17(21)13-12-16(18)14-20(23)24-4-2/h12-13,15,21H,3-11,14H2,1-2H3
InChIKeyYKTFNEAJAZXSMK-UHFFFAOYSA-N
XLogP4.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate
CID 42629411
ethyl 2-(4-methoxy-2-octanoylphenyl)acetate
CID 153405787
1-(2,5-dihydroxyphenyl)dodecan-1-one
CID 14443793
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
1-(2,5-diethylphenyl)decan-1-one
CID 65448938
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 118437547
pentyl 2-(3,5-dihydroxy-2-nonanoylphenyl)acetate
CID 67448541
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
ethyl undecanoate
CID 12327

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate (CID 141184815) is ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate is CCCCCCCCCC(=O)c1cc(O)ccc1CC(=O)OCC.
What is the InChIKey of ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate?
The InChIKey is YKTFNEAJAZXSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-3-5-6-7-8-9-10-11-19(22)18-15-17(21)13-12-16(18)14-20(23)24-4-2/h12-13,15,21H,3-11,14H2,1-2H3.
What are the key properties of ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate?
ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate has a molecular weight of 334.46 g/mol, XLogP of 4.82, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate is sourced from PubChem (CID 141184815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).