(4-hydroxyphenyl) 2-ethyltetradecanoate

C22H36O3 — CID 57022734

IUPAC(4-hydroxyphenyl) 2-ethyltetradecanoate
SMILESCCCCCCCCCCCCC(CC)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C22H36O3/c1-3-5-6-7-8-9-10-11-12-13-14-19(4-2)22(24)25-21-17-15-20(23)16-18-21/h15-19,23H,3-14H2,1-2H3
InChIKeyCBVOMJRVCXAETF-UHFFFAOYSA-N
MW348.53 g/mol
LogP6.63
Rot. Bonds14

About (4-hydroxyphenyl) 2-ethyltetradecanoate

(4-hydroxyphenyl) 2-ethyltetradecanoate (PubChem CID 57022734) has the molecular formula C22H36O3 and a molecular weight of 348.53 g/mol. Its IUPAC name is (4-hydroxyphenyl) 2-ethyltetradecanoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 2-ethyltetradecanoate
PubChem CID57022734
Molecular FormulaC22H36O3
Molecular Weight348.53 g/mol
Exact Mass348.27
IUPAC Name(4-hydroxyphenyl) 2-ethyltetradecanoate
SMILESCCCCCCCCCCCCC(CC)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C22H36O3/c1-3-5-6-7-8-9-10-11-12-13-14-19(4-2)22(24)25-21-17-15-20(23)16-18-21/h15-19,23H,3-14H2,1-2H3
InChIKeyCBVOMJRVCXAETF-UHFFFAOYSA-N
XLogP6.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-ethyloctanoate
CID 54211656
phenyl 2-ethylhexanoate
CID 11106897
[3-(2-ethyldecanoyloxy)-5-methylphenyl] 2-ethyldecanoate
CID 177246646
(4-phenylphenyl) 2-hexyldecanoate
CID 135345498
(4-hexylphenyl) 4-amino-2-ethylbutanoate
CID 134404724
(3,5-ditert-butyl-4-hydroxyphenyl) 2-ethyloctanoate
CID 175259440
(4-cyanophenyl) 2-ethylhexanoate
CID 11086042
(4-nitrophenyl) 2-ethylhexanoate
CID 86186278
[3-ethyl-5-(2-methyloctanoyloxy)phenyl] 2-ethyloctanoate
CID 177246749
[11-(2-hexyldecanoyloxy)-6-(4-hydroxyphenoxy)carbonyloxyundecyl] 2-hexyldecanoate
CID 164938714
3-(4-sulfanylphenoxy)carbonyloctadecanoic acid
CID 139940833
(4-nitrophenyl) 2-propyloctanoate
CID 151106755

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 2-ethyltetradecanoate?
The IUPAC name of (4-hydroxyphenyl) 2-ethyltetradecanoate (CID 57022734) is (4-hydroxyphenyl) 2-ethyltetradecanoate.
What is the SMILES notation for (4-hydroxyphenyl) 2-ethyltetradecanoate?
The canonical SMILES for (4-hydroxyphenyl) 2-ethyltetradecanoate is CCCCCCCCCCCCC(CC)C(=O)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) 2-ethyltetradecanoate?
The InChIKey is CBVOMJRVCXAETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O3/c1-3-5-6-7-8-9-10-11-12-13-14-19(4-2)22(24)25-21-17-15-20(23)16-18-21/h15-19,23H,3-14H2,1-2H3.
What are the key properties of (4-hydroxyphenyl) 2-ethyltetradecanoate?
(4-hydroxyphenyl) 2-ethyltetradecanoate has a molecular weight of 348.53 g/mol, XLogP of 6.63, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 2-ethyltetradecanoate is sourced from PubChem (CID 57022734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).