methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate

C13H18O4 — CID 139911211

IUPACmethyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(OCC(C)O)cc1
InChIInChI=1S/C13H18O4/c1-9(14)8-17-12-6-4-11(5-7-12)10(2)13(15)16-3/h4-7,9-10,14H,8H2,1-3H3
InChIKeyGZLIELPVXUAGCN-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.72
Rot. Bonds5

About methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate

methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate (PubChem CID 139911211) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate
PubChem CID139911211
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(OCC(C)O)cc1
InChIInChI=1S/C13H18O4/c1-9(14)8-17-12-6-4-11(5-7-12)10(2)13(15)16-3/h4-7,9-10,14H,8H2,1-3H3
InChIKeyGZLIELPVXUAGCN-UHFFFAOYSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2-methylpropoxy)phenyl]propanoate
CID 135079153
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
methyl 2-(4-pentoxyphenyl)propanoate
CID 69403046
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838
1-[4-(1-aminopropyl)phenoxy]propan-2-ol
CID 60880327
methyl 2-(4-aminophenyl)propanoate
CID 3016109
methyl (2S)-2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoate
CID 163934815
methyl 2-[4-(iodomethyl)phenyl]propanoate
CID 142631167
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
acetic acid;1-phenoxypropan-2-ol
CID 68567525
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
methyl 2-(4-propylphenyl)propanoate
CID 62801402

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate?
The IUPAC name of methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate (CID 139911211) is methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate.
What is the SMILES notation for methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate?
The canonical SMILES for methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate is COC(=O)C(C)c1ccc(OCC(C)O)cc1.
What is the InChIKey of methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate?
The InChIKey is GZLIELPVXUAGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9(14)8-17-12-6-4-11(5-7-12)10(2)13(15)16-3/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate?
methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate has a molecular weight of 238.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate is sourced from PubChem (CID 139911211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).