[2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate

C22H26O3 — CID 20778466

IUPAC[2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(C)cc(C)cc1C(C)c1cc(C)cc(C)c1O
InChIInChI=1S/C22H26O3/c1-12(2)22(24)25-21-16(6)9-14(4)11-19(21)17(7)18-10-13(3)8-15(5)20(18)23/h8-11,17,23H,1H2,2-7H3
InChIKeyUVFKWMNOAOFESX-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.26
Rot. Bonds4

About [2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate

[2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate (PubChem CID 20778466) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is [2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate
PubChem CID20778466
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name[2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(C)cc(C)cc1C(C)c1cc(C)cc(C)c1O
InChIInChI=1S/C22H26O3/c1-12(2)22(24)25-21-16(6)9-14(4)11-19(21)17(7)18-10-13(3)8-15(5)20(18)23/h8-11,17,23H,1H2,2-7H3
InChIKeyUVFKWMNOAOFESX-UHFFFAOYSA-N
XLogP5.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenyl] 2-methylprop-2-enoate
CID 21290800
2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenol;[2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenyl] prop-2-enoate
CID 54023618
2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol
CID 58819703
[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 140889355
bis[2-(1-methoxyethyl)-4,6-dimethylphenyl] carbonate
CID 90300394
[4-[2-[4-[2-[3,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenyl] 2-methylprop-2-enoate
CID 59739180
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 10040352
(2,4,6-trimethylphenyl) 2-amino-3-methylbutanoate
CID 82116665
butane-2,3-diol;(2,4,6-trimethylphenyl) 2-oxo-2-(2,4,6-trimethylphenyl)acetate
CID 90416013
(2,4,6-trimethylphenyl) (2S)-2-aminopropanoate
CID 67529614
(2,4,6-trimethylphenyl) 2-aminopropanoate
CID 77308441
[4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate
CID 59739252

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate (CID 20778466) is [2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(C)cc(C)cc1C(C)c1cc(C)cc(C)c1O.
What is the InChIKey of [2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate?
The InChIKey is UVFKWMNOAOFESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-12(2)22(24)25-21-16(6)9-14(4)11-19(21)17(7)18-10-13(3)8-15(5)20(18)23/h8-11,17,23H,1H2,2-7H3.
What are the key properties of [2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate?
[2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate has a molecular weight of 338.45 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-hydroxy-3,5-dimethylphenyl)ethyl]-4,6-dimethylphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20778466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).