methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate

C18H28O4 — CID 1474473

IUPACmethyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate
SMILESCOC(=O)[C@H](OC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H28O4/c1-17(2,3)12-9-11(15(21-7)16(20)22-8)10-13(14(12)19)18(4,5)6/h9-10,15,19H,1-8H3/t15-/m1/s1
InChIKeySZMROFKGANKWSQ-OAHLLOKOSA-N
MW308.42 g/mol
LogP3.85
Rot. Bonds3

About methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate

methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate (PubChem CID 1474473) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate
PubChem CID1474473
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Namemethyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate
SMILESCOC(=O)[C@H](OC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H28O4/c1-17(2,3)12-9-11(15(21-7)16(20)22-8)10-13(14(12)19)18(4,5)6/h9-10,15,19H,1-8H3/t15-/m1/s1
InChIKeySZMROFKGANKWSQ-OAHLLOKOSA-N
XLogP3.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)but-3-enoate
CID 88850846
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanoate
CID 18974158
2-[2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]oxyethyl 2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 87082508
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-iodopropanoate
CID 118054778
[(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium
CID 169040458
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
methyl (2S,3S)-2-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-thiophen-2-ylpropanoate
CID 134954513
N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide
CID 2313610
methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate
CID 171221473
2,6-ditert-butyl-4-methoxyphenol
CID 10269
N-(2-aminoethyl)-3,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 175993884
ethyl (2R)-2-amino-3,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 92844540

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate?
The IUPAC name of methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate (CID 1474473) is methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate.
What is the SMILES notation for methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate?
The canonical SMILES for methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate is COC(=O)[C@H](OC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate?
The InChIKey is SZMROFKGANKWSQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28O4/c1-17(2,3)12-9-11(15(21-7)16(20)22-8)10-13(14(12)19)18(4,5)6/h9-10,15,19H,1-8H3/t15-/m1/s1.
What are the key properties of methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate?
methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate has a molecular weight of 308.42 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate is sourced from PubChem (CID 1474473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).