methyl 4-(2-hydroxyphenoxy)butanoate

C11H14O4 — CID 71402500

IUPACmethyl 4-(2-hydroxyphenoxy)butanoate
SMILESCOC(=O)CCCOc1ccccc1O
InChIInChI=1S/C11H14O4/c1-14-11(13)7-4-8-15-10-6-3-2-5-9(10)12/h2-3,5-6,12H,4,7-8H2,1H3
InChIKeyDCICRZMUSSBMTN-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.72
Rot. Bonds5

About methyl 4-(2-hydroxyphenoxy)butanoate

methyl 4-(2-hydroxyphenoxy)butanoate (PubChem CID 71402500) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 4-(2-hydroxyphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxyphenoxy)butanoate
PubChem CID71402500
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 4-(2-hydroxyphenoxy)butanoate
SMILESCOC(=O)CCCOc1ccccc1O
InChIInChI=1S/C11H14O4/c1-14-11(13)7-4-8-15-10-6-3-2-5-9(10)12/h2-3,5-6,12H,4,7-8H2,1H3
InChIKeyDCICRZMUSSBMTN-UHFFFAOYSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-[(1R)-1-hydroxyethyl]phenoxy]butanoate
CID 55189877
methyl 4-(2,3-dimethylphenoxy)butanoate
CID 43378041
methyl 4-(2-carbamothioylphenoxy)butanoate
CID 43378023
methyl 4-(2-nitrophenoxy)butanoate
CID 43378076
methyl 4-[3-(2-aminophenoxy)propanoyloxy]butanoate
CID 61314466
methyl 4-(2-fluoro-3-methylphenoxy)butanoate
CID 103988294
methyl 4-(2-prop-2-enylphenoxy)butanoate
CID 43608103
(2-hydroxyphenyl) 4-chlorobutanoate
CID 69126445
methyl 4-(2-amino-3-methylphenoxy)butanoate
CID 43437986
methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate
CID 60637211
methyl 3-(2-methylsulfanylphenoxy)propanoate
CID 63648637
methyl 4-[3-chloro-2-(methylaminomethyl)phenoxy]butanoate
CID 114318736

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxyphenoxy)butanoate?
The IUPAC name of methyl 4-(2-hydroxyphenoxy)butanoate (CID 71402500) is methyl 4-(2-hydroxyphenoxy)butanoate.
What is the SMILES notation for methyl 4-(2-hydroxyphenoxy)butanoate?
The canonical SMILES for methyl 4-(2-hydroxyphenoxy)butanoate is COC(=O)CCCOc1ccccc1O.
What is the InChIKey of methyl 4-(2-hydroxyphenoxy)butanoate?
The InChIKey is DCICRZMUSSBMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-11(13)7-4-8-15-10-6-3-2-5-9(10)12/h2-3,5-6,12H,4,7-8H2,1H3.
What are the key properties of methyl 4-(2-hydroxyphenoxy)butanoate?
methyl 4-(2-hydroxyphenoxy)butanoate has a molecular weight of 210.23 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 4-(2-hydroxyphenoxy)butanoate is sourced from PubChem (CID 71402500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).