2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid

C16H16O5 — CID 20990666

IUPAC2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
SMILESCOc1cccc(OCCOc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H16O5/c1-19-12-5-4-6-13(11-12)20-9-10-21-15-8-3-2-7-14(15)16(17)18/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyOJOPCYRFHXPWPQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.85
Rot. Bonds7

About 2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid

2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid (PubChem CID 20990666) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
PubChem CID20990666
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
SMILESCOc1cccc(OCCOc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H16O5/c1-19-12-5-4-6-13(11-12)20-9-10-21-15-8-3-2-7-14(15)16(17)18/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyOJOPCYRFHXPWPQ-UHFFFAOYSA-N
XLogP2.85
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-methylphenoxy)propoxy]benzoic acid
CID 43214606
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
2-[2-[4-[(3-methoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68688879
2-[2-(3-cyanophenoxy)ethoxy]benzoic acid
CID 43532247
2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992517
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024
2-[2-(3,5-difluorophenoxy)ethoxy]benzoic acid
CID 62785009
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22682108
2-(2-propanoyloxyethoxy)benzoic acid
CID 141005328

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid (CID 20990666) is 2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid is COc1cccc(OCCOc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid?
The InChIKey is OJOPCYRFHXPWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-19-12-5-4-6-13(11-12)20-9-10-21-15-8-3-2-7-14(15)16(17)18/h2-8,11H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid?
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 20990666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).