tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate

C23H30O5 — CID 123648817

IUPACtert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate
SMILESCOc1ccc(CCC(O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1C
InChIInChI=1S/C23H30O5/c1-16-13-17(10-12-21(16)26-5)9-11-20(24)18-7-6-8-19(14-18)27-15-22(25)28-23(2,3)4/h6-8,10,12-14,20,24H,9,11,15H2,1-5H3
InChIKeyJLALMMJUGIVPKH-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.39
Rot. Bonds8

About tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate

tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate (PubChem CID 123648817) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate
PubChem CID123648817
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Nametert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate
SMILESCOc1ccc(CCC(O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1C
InChIInChI=1S/C23H30O5/c1-16-13-17(10-12-21(16)26-5)9-11-20(24)18-7-6-8-19(14-18)27-15-22(25)28-23(2,3)4/h6-8,10,12-14,20,24H,9,11,15H2,1-5H3
InChIKeyJLALMMJUGIVPKH-UHFFFAOYSA-N
XLogP4.39
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate with MolForge

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Related Compounds

tert-butyl 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]acetate
CID 146315607
1-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]propan-2-one
CID 58679729
2-[3-[3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]-3,3-dimethylbutanoic acid
CID 134324395
tert-butyl 2-[3-[(1S)-1-[4-(1-adamantyl)phenoxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetate
CID 52953470
tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate
CID 67720502
tert-butyl 2-[3-(2-cyanoethyl)phenoxy]acetate
CID 91047501
tert-butyl 2-[[5-[3-(3,4-dimethoxyphenyl)propyl]-3-pyridinyl]oxy]acetate
CID 167288187
tert-butyl 2-[3-[3-(3,4-dimethoxyphenyl)propanoyl]-4-fluorophenoxy]acetate
CID 146315490
tert-butyl 2-[3-[3-[4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]phenoxy]acetate
CID 146315638
[(1R)-3-(3-methoxy-4-methylphenyl)-1-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxo-4-prop-2-enoyloxybutanoyl)piperidine-2-carboxylate
CID 158132980
tert-butyl 2-[3-[4-(3-hydroxyphenyl)hexan-2-yl]phenoxy]acetate
CID 58325712
2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81134083

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate?
The IUPAC name of tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate (CID 123648817) is tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate.
What is the SMILES notation for tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate?
The canonical SMILES for tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate is COc1ccc(CCC(O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1C.
What is the InChIKey of tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate?
The InChIKey is JLALMMJUGIVPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5/c1-16-13-17(10-12-21(16)26-5)9-11-20(24)18-7-6-8-19(14-18)27-15-22(25)28-23(2,3)4/h6-8,10,12-14,20,24H,9,11,15H2,1-5H3.
What are the key properties of tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate?
tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate has a molecular weight of 386.49 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate is sourced from PubChem (CID 123648817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).