2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid

C14H18O8 — CID 15307009

IUPAC2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOc1ccc(OCCOCC(=O)O)cc1
InChIInChI=1S/C14H18O8/c15-13(16)9-19-5-7-21-11-1-2-12(4-3-11)22-8-6-20-10-14(17)18/h1-4H,5-10H2,(H,15,16)(H,17,18)
InChIKeyNNSIEXCPPLUSTA-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.65
Rot. Bonds12

About 2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid

2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid (PubChem CID 15307009) has the molecular formula C14H18O8 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
PubChem CID15307009
Molecular FormulaC14H18O8
Molecular Weight314.29 g/mol
Exact Mass314.10
IUPAC Name2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOc1ccc(OCCOCC(=O)O)cc1
InChIInChI=1S/C14H18O8/c15-13(16)9-19-5-7-21-11-1-2-12(4-3-11)22-8-6-20-10-14(17)18/h1-4H,5-10H2,(H,15,16)(H,17,18)
InChIKeyNNSIEXCPPLUSTA-UHFFFAOYSA-N
XLogP0.65
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid
CID 58687735
2-[2-[4-(3-oxobutan-2-yloxy)phenoxy]ethoxy]acetic acid
CID 59205630
2-[2-[2-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]acetic acid
CID 162027835
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid
CID 59205623
butoxybenzene;2-ethoxyacetic acid
CID 174498357
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101226367
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101226371
2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101226365
2-[2-[2-[2-[4-(3,4-dibromo-2-hydroxy-5-oxo-2H-pyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 174243652
butyl 2-(2-phenoxyethoxy)acetate
CID 54941982
2-[2-[2-[2-[2-[2,5-bis(4-hexoxyphenyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101371720

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid (CID 15307009) is 2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid is O=C(O)COCCOc1ccc(OCCOCC(=O)O)cc1.
What is the InChIKey of 2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid?
The InChIKey is NNSIEXCPPLUSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O8/c15-13(16)9-19-5-7-21-11-1-2-12(4-3-11)22-8-6-20-10-14(17)18/h1-4H,5-10H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid?
2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid has a molecular weight of 314.29 g/mol, XLogP of 0.65, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid is sourced from PubChem (CID 15307009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).