tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate

C15H22O4 — CID 46841627

IUPACtert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOc1ccc(CCO)cc1
InChIInChI=1S/C15H22O4/c1-15(2,3)19-14(17)9-11-18-13-6-4-12(5-7-13)8-10-16/h4-7,16H,8-11H2,1-3H3
InChIKeyQNOHIOMTYNTOHA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.33
Rot. Bonds6

About tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate

tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate (PubChem CID 46841627) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
PubChem CID46841627
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nametert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOc1ccc(CCO)cc1
InChIInChI=1S/C15H22O4/c1-15(2,3)19-14(17)9-11-18-13-6-4-12(5-7-13)8-10-16/h4-7,16H,8-11H2,1-3H3
InChIKeyQNOHIOMTYNTOHA-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[4-(3-oxobutyl)phenoxy]propanoate
CID 116659062
tert-butyl 3-(4-butylphenoxy)propanoate
CID 116659256
ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 86193635
tert-butyl 4-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoate
CID 160926116
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate
CID 106707086
tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate
CID 59636847
tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate
CID 24754221
tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate
CID 162639917
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 14775456
methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate
CID 59129236
tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate
CID 11500545

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate?
The IUPAC name of tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate (CID 46841627) is tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate?
The canonical SMILES for tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate is CC(C)(C)OC(=O)CCOc1ccc(CCO)cc1.
What is the InChIKey of tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate?
The InChIKey is QNOHIOMTYNTOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2,3)19-14(17)9-11-18-13-6-4-12(5-7-13)8-10-16/h4-7,16H,8-11H2,1-3H3.
What are the key properties of tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate?
tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate has a molecular weight of 266.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate is sourced from PubChem (CID 46841627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).