2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate

C22H34O4 — CID 88811774

IUPAC2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCc1cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C22H34O4/c1-8-19(23)26-12-11-25-15-16-13-17(21(4,5)9-2)20(24)18(14-16)22(6,7)10-3/h8,13-14,24H,1,9-12,15H2,2-7H3
InChIKeyTWWCDNURGYSGLF-UHFFFAOYSA-N
MW362.51 g/mol
LogP5.01
Rot. Bonds10

About 2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate

2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate (PubChem CID 88811774) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate
PubChem CID88811774
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCc1cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C22H34O4/c1-8-19(23)26-12-11-25-15-16-13-17(21(4,5)9-2)20(24)18(14-16)22(6,7)10-3/h8,13-14,24H,1,9-12,15H2,2-7H3
InChIKeyTWWCDNURGYSGLF-UHFFFAOYSA-N
XLogP5.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]ethyl prop-2-enoate
CID 87831386
4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl prop-2-enoate
CID 545786
1,1-bis[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]ethyl prop-2-enoate
CID 57052760
2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol
CID 152764952
2-[[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 54492077
4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol
CID 54117859
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methoxymethyl]prop-2-enamide
CID 22754678
[5-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxo-2-prop-2-enoyloxypentyl] prop-2-enoate
CID 58280717
2-[2-[2-[2-[2-[2-[2,2-bis[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 173016029
2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate
CID 170223606
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate
CID 176764617

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate (CID 88811774) is 2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCc1cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c1.
What is the InChIKey of 2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate?
The InChIKey is TWWCDNURGYSGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O4/c1-8-19(23)26-12-11-25-15-16-13-17(21(4,5)9-2)20(24)18(14-16)22(6,7)10-3/h8,13-14,24H,1,9-12,15H2,2-7H3.
What are the key properties of 2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate?
2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate has a molecular weight of 362.51 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate is sourced from PubChem (CID 88811774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).