tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate

C16H24O4 — CID 66338003

IUPACtert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate
SMILESCOc1ccc(C(O)C(C)C(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C16H24O4/c1-10-9-12(7-8-13(10)19-6)14(17)11(2)15(18)20-16(3,4)5/h7-9,11,14,17H,1-6H3
InChIKeyVEZOIBGWAXKQCN-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.01
Rot. Bonds4

About tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate

tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate (PubChem CID 66338003) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate
PubChem CID66338003
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Nametert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate
SMILESCOc1ccc(C(O)C(C)C(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C16H24O4/c1-10-9-12(7-8-13(10)19-6)14(17)11(2)15(18)20-16(3,4)5/h7-9,11,14,17H,1-6H3
InChIKeyVEZOIBGWAXKQCN-UHFFFAOYSA-N
XLogP3.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanoate
CID 66337444
tert-butyl 3-(3-fluoro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
CID 66337808
ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
CID 62393496
tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 171899098
tert-butyl 3-(4-ethylphenyl)-3-hydroxy-2-methylpropanoate
CID 66337628
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265096
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 96622534
methyl (3R)-3-amino-3-(4-methoxy-3-methylphenyl)-2,2-dimethylpropanoate
CID 171244192
(3R)-3-(4-methoxy-3-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 103667597

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate?
The IUPAC name of tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate (CID 66338003) is tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate?
The canonical SMILES for tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate is COc1ccc(C(O)C(C)C(=O)OC(C)(C)C)cc1C.
What is the InChIKey of tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate?
The InChIKey is VEZOIBGWAXKQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-10-9-12(7-8-13(10)19-6)14(17)11(2)15(18)20-16(3,4)5/h7-9,11,14,17H,1-6H3.
What are the key properties of tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate?
tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate has a molecular weight of 280.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate is sourced from PubChem (CID 66338003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).