tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate

C15H22O5 — CID 139988184

IUPACtert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate
SMILESCOCOc1ccc(CCC(=O)OC(C)(C)C)c(O)c1
InChIInChI=1S/C15H22O5/c1-15(2,3)20-14(17)8-6-11-5-7-12(9-13(11)16)19-10-18-4/h5,7,9,16H,6,8,10H2,1-4H3
InChIKeyJHNRCOPLNVTFRT-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.65
Rot. Bonds6

About tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate

tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate (PubChem CID 139988184) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate
PubChem CID139988184
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nametert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate
SMILESCOCOc1ccc(CCC(=O)OC(C)(C)C)c(O)c1
InChIInChI=1S/C15H22O5/c1-15(2,3)20-14(17)8-6-11-5-7-12(9-13(11)16)19-10-18-4/h5,7,9,16H,6,8,10H2,1-4H3
InChIKeyJHNRCOPLNVTFRT-UHFFFAOYSA-N
XLogP2.65
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate
CID 139988139
3-[2-hydroxy-4-(2-methoxyethoxy)phenyl]propanoic acid
CID 67735917
tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate
CID 142193799
tert-butyl 10-[2-formyl-5-(methoxymethoxy)phenoxy]decanoate
CID 171476426
tert-butyl 3-(4-hydroxy-2-nitrophenyl)propanoate
CID 546506
methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634678
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
tert-butyl 3-[2-(methoxymethyl)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 58979302
4-[2-methoxy-5-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]phenyl]butanoic acid
CID 168842386
2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 58979178
ethyl 3-[4-(4-bromobutoxy)-2-hydroxyphenyl]propanoate
CID 69248089
tert-butyl 3-(4-chloro-3-fluorophenoxy)propanoate
CID 116659260

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate?
The IUPAC name of tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate (CID 139988184) is tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate.
What is the SMILES notation for tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate?
The canonical SMILES for tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate is COCOc1ccc(CCC(=O)OC(C)(C)C)c(O)c1.
What is the InChIKey of tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate?
The InChIKey is JHNRCOPLNVTFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-15(2,3)20-14(17)8-6-11-5-7-12(9-13(11)16)19-10-18-4/h5,7,9,16H,6,8,10H2,1-4H3.
What are the key properties of tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate?
tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate has a molecular weight of 282.34 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate is sourced from PubChem (CID 139988184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).