4-[3-(methoxymethyl)phenoxy]pentanoic acid

C13H18O4 — CID 63986541

IUPAC4-[3-(methoxymethyl)phenoxy]pentanoic acid
SMILESCOCc1cccc(OC(C)CCC(=O)O)c1
InChIInChI=1S/C13H18O4/c1-10(6-7-13(14)15)17-12-5-3-4-11(8-12)9-16-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyQIVHGGULTCNXOO-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.47
Rot. Bonds7

About 4-[3-(methoxymethyl)phenoxy]pentanoic acid

4-[3-(methoxymethyl)phenoxy]pentanoic acid (PubChem CID 63986541) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenoxy]pentanoic acid.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenoxy]pentanoic acid
PubChem CID63986541
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-[3-(methoxymethyl)phenoxy]pentanoic acid
SMILESCOCc1cccc(OC(C)CCC(=O)O)c1
InChIInChI=1S/C13H18O4/c1-10(6-7-13(14)15)17-12-5-3-4-11(8-12)9-16-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyQIVHGGULTCNXOO-UHFFFAOYSA-N
XLogP2.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
4-(3-acetylphenoxy)pentanoic acid
CID 62213253
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
3-[3-(methoxymethyl)phenoxy]heptan-4-ol
CID 63984608
3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
CID 116693402
4-(4-methylphenoxy)pentanoic acid
CID 62214144
3-[(3-methoxyphenyl)methoxy]butanoic acid
CID 43536105
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenoxy]pentanoic acid?
The IUPAC name of 4-[3-(methoxymethyl)phenoxy]pentanoic acid (CID 63986541) is 4-[3-(methoxymethyl)phenoxy]pentanoic acid.
What is the SMILES notation for 4-[3-(methoxymethyl)phenoxy]pentanoic acid?
The canonical SMILES for 4-[3-(methoxymethyl)phenoxy]pentanoic acid is COCc1cccc(OC(C)CCC(=O)O)c1.
What is the InChIKey of 4-[3-(methoxymethyl)phenoxy]pentanoic acid?
The InChIKey is QIVHGGULTCNXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-10(6-7-13(14)15)17-12-5-3-4-11(8-12)9-16-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of 4-[3-(methoxymethyl)phenoxy]pentanoic acid?
4-[3-(methoxymethyl)phenoxy]pentanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenoxy]pentanoic acid is sourced from PubChem (CID 63986541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).