2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid

C18H18O7 — CID 2215647

IUPAC2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCOCCOc1ccccc1C(=O)O
InChIInChI=1S/C18H18O7/c19-17(20)13-5-1-3-7-15(13)24-11-9-23-10-12-25-16-8-4-2-6-14(16)18(21)22/h1-8H,9-12H2,(H,19,20)(H,21,22)
InChIKeyKMHBQZUIDZWHIY-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.56
Rot. Bonds10

About 2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid

2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid (PubChem CID 2215647) has the molecular formula C18H18O7 and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
PubChem CID2215647
Molecular FormulaC18H18O7
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCOCCOc1ccccc1C(=O)O
InChIInChI=1S/C18H18O7/c19-17(20)13-5-1-3-7-15(13)24-11-9-23-10-12-25-16-8-4-2-6-14(16)18(21)22/h1-8H,9-12H2,(H,19,20)(H,21,22)
InChIKeyKMHBQZUIDZWHIY-UHFFFAOYSA-N
XLogP2.56
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 43532277
2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride
CID 10981850
2-(3-pentoxypropoxy)benzoic acid
CID 63074508
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
2-(3-carboxypropoxy)benzoic acid
CID 14661645
2-(2-propan-2-yloxyethoxy)benzoic acid
CID 28604902
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
2-(16-chlorohexadecoxy)benzoic acid
CID 56630672
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-(2-propanoyloxyethoxy)benzoic acid
CID 141005328

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid (CID 2215647) is 2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid is O=C(O)c1ccccc1OCCOCCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid?
The InChIKey is KMHBQZUIDZWHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O7/c19-17(20)13-5-1-3-7-15(13)24-11-9-23-10-12-25-16-8-4-2-6-14(16)18(21)22/h1-8H,9-12H2,(H,19,20)(H,21,22).
What are the key properties of 2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid?
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid has a molecular weight of 346.33 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid is sourced from PubChem (CID 2215647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).