benzene;3-(2-ethoxyethoxy)propanoic acid

C13H20O4 — CID 174652454

IUPACbenzene;3-(2-ethoxyethoxy)propanoic acid
SMILESCCOCCOCCC(=O)O.c1ccccc1
InChIInChI=1S/C7H14O4.C6H6/c1-2-10-5-6-11-4-3-7(8)9;1-2-4-6-5-3-1/h2-6H2,1H3,(H,8,9);1-6H
InChIKeyJKFVYXFOCNSDOE-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.20
Rot. Bonds7

About benzene;3-(2-ethoxyethoxy)propanoic acid

benzene;3-(2-ethoxyethoxy)propanoic acid (PubChem CID 174652454) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is benzene;3-(2-ethoxyethoxy)propanoic acid.

Molecular Properties

Compound Namebenzene;3-(2-ethoxyethoxy)propanoic acid
PubChem CID174652454
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Namebenzene;3-(2-ethoxyethoxy)propanoic acid
SMILESCCOCCOCCC(=O)O.c1ccccc1
InChIInChI=1S/C7H14O4.C6H6/c1-2-10-5-6-11-4-3-7(8)9;1-2-4-6-5-3-1/h2-6H2,1H3,(H,8,9);1-6H
InChIKeyJKFVYXFOCNSDOE-UHFFFAOYSA-N
XLogP2.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
4-(2-ethoxyethoxy)-2-methylidenebutanoic acid
CID 22662596
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
8-ethoxy-6-oxooctanoic acid
CID 154310113
3-(2-heptoxyethoxy)propanoic acid
CID 71368458
3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 154205178
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570

Frequently Asked Questions

What is the IUPAC name of benzene;3-(2-ethoxyethoxy)propanoic acid?
The IUPAC name of benzene;3-(2-ethoxyethoxy)propanoic acid (CID 174652454) is benzene;3-(2-ethoxyethoxy)propanoic acid.
What is the SMILES notation for benzene;3-(2-ethoxyethoxy)propanoic acid?
The canonical SMILES for benzene;3-(2-ethoxyethoxy)propanoic acid is CCOCCOCCC(=O)O.c1ccccc1.
What is the InChIKey of benzene;3-(2-ethoxyethoxy)propanoic acid?
The InChIKey is JKFVYXFOCNSDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4.C6H6/c1-2-10-5-6-11-4-3-7(8)9;1-2-4-6-5-3-1/h2-6H2,1H3,(H,8,9);1-6H.
What are the key properties of benzene;3-(2-ethoxyethoxy)propanoic acid?
benzene;3-(2-ethoxyethoxy)propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-(2-ethoxyethoxy)propanoic acid is sourced from PubChem (CID 174652454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).