3-[3-(nonoxymethyl)phenyl]propanoic acid

C19H30O3 — CID 67860253

IUPAC3-[3-(nonoxymethyl)phenyl]propanoic acid
SMILESCCCCCCCCCOCc1cccc(CCC(=O)O)c1
InChIInChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-14-22-16-18-11-9-10-17(15-18)12-13-19(20)21/h9-11,15H,2-8,12-14,16H2,1H3,(H,20,21)
InChIKeyJEVFOHMIISKPAF-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.97
Rot. Bonds13

About 3-[3-(nonoxymethyl)phenyl]propanoic acid

3-[3-(nonoxymethyl)phenyl]propanoic acid (PubChem CID 67860253) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-[3-(nonoxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(nonoxymethyl)phenyl]propanoic acid
PubChem CID67860253
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name3-[3-(nonoxymethyl)phenyl]propanoic acid
SMILESCCCCCCCCCOCc1cccc(CCC(=O)O)c1
InChIInChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-14-22-16-18-11-9-10-17(15-18)12-13-19(20)21/h9-11,15H,2-8,12-14,16H2,1H3,(H,20,21)
InChIKeyJEVFOHMIISKPAF-UHFFFAOYSA-N
XLogP4.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(dec-2-ynoxymethyl)phenyl]propanoic acid
CID 19739542
1-(hexoxymethyl)-3-methylbenzene
CID 91805813
8-[(3-fluorophenyl)methoxy]octanoic acid
CID 66874952
methyl 3-(3-hexoxyphenyl)propanoate;3-phenylpropanoic acid
CID 175110743
azane;hexoxymethylbenzene
CID 174805489
2-[(3-nonylphenyl)methoxy]ethyl dihydrogen phosphate
CID 134605624
nonanoic acid;3-phenylmethoxypropyl octanoate
CID 168884740
[3-(heptoxymethyl)phenyl]boronic acid
CID 54971032
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482

Frequently Asked Questions

What is the IUPAC name of 3-[3-(nonoxymethyl)phenyl]propanoic acid?
The IUPAC name of 3-[3-(nonoxymethyl)phenyl]propanoic acid (CID 67860253) is 3-[3-(nonoxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(nonoxymethyl)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(nonoxymethyl)phenyl]propanoic acid is CCCCCCCCCOCc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-(nonoxymethyl)phenyl]propanoic acid?
The InChIKey is JEVFOHMIISKPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-14-22-16-18-11-9-10-17(15-18)12-13-19(20)21/h9-11,15H,2-8,12-14,16H2,1H3,(H,20,21).
What are the key properties of 3-[3-(nonoxymethyl)phenyl]propanoic acid?
3-[3-(nonoxymethyl)phenyl]propanoic acid has a molecular weight of 306.45 g/mol, XLogP of 4.97, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(nonoxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 67860253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).