methyl 4-(4-hydroxyphenoxy)pentanoate

C12H16O4 — CID 12919284

IUPACmethyl 4-(4-hydroxyphenoxy)pentanoate
SMILESCOC(=O)CCC(C)Oc1ccc(O)cc1
InChIInChI=1S/C12H16O4/c1-9(3-8-12(14)15-2)16-11-6-4-10(13)5-7-11/h4-7,9,13H,3,8H2,1-2H3
InChIKeyUTRHRUJZLQDLMN-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.11
Rot. Bonds5

About methyl 4-(4-hydroxyphenoxy)pentanoate

methyl 4-(4-hydroxyphenoxy)pentanoate (PubChem CID 12919284) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 4-(4-hydroxyphenoxy)pentanoate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxyphenoxy)pentanoate
PubChem CID12919284
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 4-(4-hydroxyphenoxy)pentanoate
SMILESCOC(=O)CCC(C)Oc1ccc(O)cc1
InChIInChI=1S/C12H16O4/c1-9(3-8-12(14)15-2)16-11-6-4-10(13)5-7-11/h4-7,9,13H,3,8H2,1-2H3
InChIKeyUTRHRUJZLQDLMN-UHFFFAOYSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
4-(4-methylphenoxy)pentanoic acid
CID 62214144
tert-butyl (4S)-4-(4-bromophenoxy)pentanoate
CID 153054942
methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 116955534
4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol
CID 70558052
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
4-(4-methylsulfanylphenoxy)pentanehydrazide
CID 55246737
methyl 2-(4-hydroxyphenoxy)butanoate
CID 23513287
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxyphenoxy)pentanoate?
The IUPAC name of methyl 4-(4-hydroxyphenoxy)pentanoate (CID 12919284) is methyl 4-(4-hydroxyphenoxy)pentanoate.
What is the SMILES notation for methyl 4-(4-hydroxyphenoxy)pentanoate?
The canonical SMILES for methyl 4-(4-hydroxyphenoxy)pentanoate is COC(=O)CCC(C)Oc1ccc(O)cc1.
What is the InChIKey of methyl 4-(4-hydroxyphenoxy)pentanoate?
The InChIKey is UTRHRUJZLQDLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-9(3-8-12(14)15-2)16-11-6-4-10(13)5-7-11/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of methyl 4-(4-hydroxyphenoxy)pentanoate?
methyl 4-(4-hydroxyphenoxy)pentanoate has a molecular weight of 224.26 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxyphenoxy)pentanoate is sourced from PubChem (CID 12919284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).