2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid

C16H16O5 — CID 14177358

IUPAC2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
SMILESCc1ccc(OCCOc2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C16H16O5/c1-11-2-4-12(5-3-11)20-8-9-21-13-6-7-14(16(18)19)15(17)10-13/h2-7,10,17H,8-9H2,1H3,(H,18,19)
InChIKeySTWYBTAZPUZHDH-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.86
Rot. Bonds6

About 2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid

2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid (PubChem CID 14177358) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
PubChem CID14177358
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
SMILESCc1ccc(OCCOc2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C16H16O5/c1-11-2-4-12(5-3-11)20-8-9-21-13-6-7-14(16(18)19)15(17)10-13/h2-7,10,17H,8-9H2,1H3,(H,18,19)
InChIKeySTWYBTAZPUZHDH-UHFFFAOYSA-N
XLogP2.86
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045
2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 19857055
2-hydroxy-4-[4-(4-methylphenyl)sulfonylbutoxy]benzoic acid
CID 19105976
2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid
CID 67375658
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857059
2-hydroxy-4-[2-(3-methylphenyl)sulfonylethoxy]benzoic acid
CID 19106015
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
2-hydroxy-4-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methoxy]benzoic acid
CID 19106206
2-hydroxy-4-(3-nitrooxypropoxy)benzoic acid
CID 59448732

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid?
The IUPAC name of 2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid (CID 14177358) is 2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid is Cc1ccc(OCCOc2ccc(C(=O)O)c(O)c2)cc1.
What is the InChIKey of 2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid?
The InChIKey is STWYBTAZPUZHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-11-2-4-12(5-3-11)20-8-9-21-13-6-7-14(16(18)19)15(17)10-13/h2-7,10,17H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid?
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 14177358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).