2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate

C23H28O3 — CID 141140535

IUPAC2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cccc(-c2cc(C)cc(C(C)(C)C)c2O)c1
InChIInChI=1S/C23H28O3/c1-15(2)22(25)26-11-10-17-8-7-9-18(14-17)19-12-16(3)13-20(21(19)24)23(4,5)6/h7-9,12-14,24H,1,10-11H2,2-6H3
InChIKeyHFTHDZVOBPSJIJ-UHFFFAOYSA-N
MW352.47 g/mol
LogP5.33
Rot. Bonds5

About 2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate

2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate (PubChem CID 141140535) has the molecular formula C23H28O3 and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate
PubChem CID141140535
Molecular FormulaC23H28O3
Molecular Weight352.47 g/mol
Exact Mass352.20
IUPAC Name2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cccc(-c2cc(C)cc(C(C)(C)C)c2O)c1
InChIInChI=1S/C23H28O3/c1-15(2)22(25)26-11-10-17-8-7-9-18(14-17)19-12-16(3)13-20(21(19)24)23(4,5)6/h7-9,12-14,24H,1,10-11H2,2-6H3
InChIKeyHFTHDZVOBPSJIJ-UHFFFAOYSA-N
XLogP5.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxy-3,5-dimethylphenyl)ethyl 2-methylprop-2-enoate
CID 67989846
2,6-ditert-butyl-4-methylphenol;methyl 2-methylprop-2-enoate
CID 159476721
4-(3-methylphenyl)butyl 2-methylprop-2-enoate
CID 174548240
2-(1,3-dioxo-2-benzofuran-5-yl)ethyl 2-methylprop-2-enoate
CID 170165738
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-(2-hydroxybenzotriazol-5-yl)ethyl 2-methylprop-2-enoate
CID 139707339
2-[3-(3-methylphenyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 130199618
2-[3,4-bis(sulfanyl)phenyl]ethyl 2-methylprop-2-enoate
CID 129175213
2-(5-tert-butyl-2,3-dihydroxyphenyl)ethyl 2-methylprop-2-enoate
CID 175490941
3-(3-chlorophenyl)propyl 2-methylprop-2-enoate
CID 163407359
[4-[3-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 139921070
2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]ethyl 2-methylprop-2-enoate
CID 22723757

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate (CID 141140535) is 2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1cccc(-c2cc(C)cc(C(C)(C)C)c2O)c1.
What is the InChIKey of 2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate?
The InChIKey is HFTHDZVOBPSJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3/c1-15(2)22(25)26-11-10-17-8-7-9-18(14-17)19-12-16(3)13-20(21(19)24)23(4,5)6/h7-9,12-14,24H,1,10-11H2,2-6H3.
What are the key properties of 2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate?
2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate has a molecular weight of 352.47 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 141140535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).