methyl 2-(4-hydroxyphenoxy)butanoate

C11H14O4 — CID 23513287

IUPACmethyl 2-(4-hydroxyphenoxy)butanoate
SMILESCCC(Oc1ccc(O)cc1)C(=O)OC
InChIInChI=1S/C11H14O4/c1-3-10(11(13)14-2)15-9-6-4-8(12)5-7-9/h4-7,10,12H,3H2,1-2H3
InChIKeyYVLUNLQWSJRKCN-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.72
Rot. Bonds4

About methyl 2-(4-hydroxyphenoxy)butanoate

methyl 2-(4-hydroxyphenoxy)butanoate (PubChem CID 23513287) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-(4-hydroxyphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxyphenoxy)butanoate
PubChem CID23513287
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 2-(4-hydroxyphenoxy)butanoate
SMILESCCC(Oc1ccc(O)cc1)C(=O)OC
InChIInChI=1S/C11H14O4/c1-3-10(11(13)14-2)15-9-6-4-8(12)5-7-9/h4-7,10,12H,3H2,1-2H3
InChIKeyYVLUNLQWSJRKCN-UHFFFAOYSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze methyl 2-(4-hydroxyphenoxy)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide
CID 69040097
2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid
CID 69203842
methyl 2-(3-aminophenoxy)butanoate
CID 18433398
methyl 2-[3-hydroxy-4-[4-[2-hydroxy-4-(1-methoxy-1-oxobutan-2-yl)oxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]butanoate
CID 169156362
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
methyl 3-amino-2-(4-bromophenoxy)propanoate
CID 110209426
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
methyl 2-[4-[4,6-bis[2-hydroxy-4-(1-methoxy-1-oxopropan-2-yl)oxyphenyl]-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;methyl 2-[4-[4,6-bis[2-hydroxy-4-(1-methoxy-1-oxopropan-2-yl)oxyphenyl]-1,3,5-triazin-2-yl]-3-(1-methoxy-1-oxopropan-2-yl)oxyphenoxy]butanoate
CID 159932457
methyl 2-(3-cyanophenoxy)butanoate
CID 86007369
methyl 2-(3-ethynylphenoxy)butanoate
CID 87249352
2-(4-methylphenoxy)butanamide
CID 4980758
(2S)-2-(4-methoxyphenoxy)butanoate
CID 7269180

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxyphenoxy)butanoate?
The IUPAC name of methyl 2-(4-hydroxyphenoxy)butanoate (CID 23513287) is methyl 2-(4-hydroxyphenoxy)butanoate.
What is the SMILES notation for methyl 2-(4-hydroxyphenoxy)butanoate?
The canonical SMILES for methyl 2-(4-hydroxyphenoxy)butanoate is CCC(Oc1ccc(O)cc1)C(=O)OC.
What is the InChIKey of methyl 2-(4-hydroxyphenoxy)butanoate?
The InChIKey is YVLUNLQWSJRKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-10(11(13)14-2)15-9-6-4-8(12)5-7-9/h4-7,10,12H,3H2,1-2H3.
What are the key properties of methyl 2-(4-hydroxyphenoxy)butanoate?
methyl 2-(4-hydroxyphenoxy)butanoate has a molecular weight of 210.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxyphenoxy)butanoate is sourced from PubChem (CID 23513287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).