tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate

C15H22O5 — CID 107742324

IUPACtert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate
SMILESCOc1cc(CO)ccc1OCCC(=O)OC(C)(C)C
InChIInChI=1S/C15H22O5/c1-15(2,3)20-14(17)7-8-19-12-6-5-11(10-16)9-13(12)18-4/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyWKZOKKWWDKDVIG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.30
Rot. Bonds6

About tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate

tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate (PubChem CID 107742324) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate
PubChem CID107742324
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nametert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate
SMILESCOc1cc(CO)ccc1OCCC(=O)OC(C)(C)C
InChIInChI=1S/C15H22O5/c1-15(2,3)20-14(17)7-8-19-12-6-5-11(10-16)9-13(12)18-4/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyWKZOKKWWDKDVIG-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate
CID 63950315
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
CID 107743240
5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
CID 114281672
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064
2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide
CID 107744699
4-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-methyl-5-oxopentan-2-yl)butanamide
CID 178083581
tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate
CID 10710098
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate?
The IUPAC name of tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate (CID 107742324) is tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate?
The canonical SMILES for tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate is COc1cc(CO)ccc1OCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate?
The InChIKey is WKZOKKWWDKDVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-15(2,3)20-14(17)7-8-19-12-6-5-11(10-16)9-13(12)18-4/h5-6,9,16H,7-8,10H2,1-4H3.
What are the key properties of tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate?
tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate has a molecular weight of 282.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate is sourced from PubChem (CID 107742324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).