methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate

C15H22O3 — CID 94156912

IUPACmethyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C15H22O3/c1-10-9-12(15(3,4)5)7-8-13(10)18-11(2)14(16)17-6/h7-9,11H,1-6H3/t11-/m1/s1
InChIKeyRTSPUWQVQKSYCU-LLVKDONJSA-N
MW250.34 g/mol
LogP3.23
Rot. Bonds3

About methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate

methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate (PubChem CID 94156912) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate
PubChem CID94156912
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namemethyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C15H22O3/c1-10-9-12(15(3,4)5)7-8-13(10)18-11(2)14(16)17-6/h7-9,11H,1-6H3/t11-/m1/s1
InChIKeyRTSPUWQVQKSYCU-LLVKDONJSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-2-methylphenoxy)propanamide
CID 55023677
N-(4-tert-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266783
methyl (2S)-2-(3,5-ditert-butylphenoxy)propanoate
CID 103337876
2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 71089254
3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid
CID 2981353
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
(2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile
CID 94156951
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047
methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate
CID 71075712
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
3-(4-tert-butyl-2-methylphenoxy)butanimidamide
CID 114997400

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate?
The IUPAC name of methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate (CID 94156912) is methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate?
The canonical SMILES for methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate is COC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate?
The InChIKey is RTSPUWQVQKSYCU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-9-12(15(3,4)5)7-8-13(10)18-11(2)14(16)17-6/h7-9,11H,1-6H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate?
methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate has a molecular weight of 250.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate is sourced from PubChem (CID 94156912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).