methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate

C13H18O4 — CID 113323144

IUPACmethyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(CC(C)O)cc1
InChIInChI=1S/C13H18O4/c1-10(14)9-11-3-5-12(6-4-11)17-8-7-13(15)16-2/h3-6,10,14H,7-9H2,1-2H3
InChIKeyIEMSKSFGMVMJOV-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.55
Rot. Bonds6

About methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate

methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate (PubChem CID 113323144) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate
PubChem CID113323144
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(CC(C)O)cc1
InChIInChI=1S/C13H18O4/c1-10(14)9-11-3-5-12(6-4-11)17-8-7-13(15)16-2/h3-6,10,14H,7-9H2,1-2H3
InChIKeyIEMSKSFGMVMJOV-UHFFFAOYSA-N
XLogP1.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 78955010
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
CID 115495159
1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
CID 104648035
methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
CID 3054668
4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
CID 115495833
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
CID 115495812
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
methyl 3-(4-carbamoylphenoxy)propanoate
CID 28879864
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 3-[4-(11-methyldodecoxy)phenyl]propanoate
CID 15616993
5-[4-(2-hydroxypropyl)phenoxy]pentanenitrile
CID 113323096
methyl 3-[4-(2-chloroethoxy)phenyl]propanoate
CID 67053705

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate?
The IUPAC name of methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate (CID 113323144) is methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate?
The canonical SMILES for methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate is COC(=O)CCOc1ccc(CC(C)O)cc1.
What is the InChIKey of methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate?
The InChIKey is IEMSKSFGMVMJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-10(14)9-11-3-5-12(6-4-11)17-8-7-13(15)16-2/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate?
methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate has a molecular weight of 238.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate is sourced from PubChem (CID 113323144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).