4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid

C15H13ClO5 — CID 19857045

IUPAC4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H13ClO5/c16-10-1-3-11(4-2-10)20-7-8-21-12-5-6-13(15(18)19)14(17)9-12/h1-6,9,17H,7-8H2,(H,18,19)
InChIKeyOCOXYWUKSKNFLR-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.20
Rot. Bonds6

About 4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid

4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid (PubChem CID 19857045) has the molecular formula C15H13ClO5 and a molecular weight of 308.72 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
PubChem CID19857045
Molecular FormulaC15H13ClO5
Molecular Weight308.72 g/mol
Exact Mass308.05
IUPAC Name4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H13ClO5/c16-10-1-3-11(4-2-10)20-7-8-21-12-5-6-13(15(18)19)14(17)9-12/h1-6,9,17H,7-8H2,(H,18,19)
InChIKeyOCOXYWUKSKNFLR-UHFFFAOYSA-N
XLogP3.20
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.20
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
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
4-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]propan-2-yl]-2-hydroxybenzoic acid
CID 67746394
2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 19857055
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857059
2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid
CID 67375658
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
2-hydroxy-4-(3-nitrooxypropoxy)benzoic acid
CID 59448732
4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
CID 10242483
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid?
The IUPAC name of 4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid (CID 19857045) is 4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid is O=C(O)c1ccc(OCCOc2ccc(Cl)cc2)cc1O.
What is the InChIKey of 4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid?
The InChIKey is OCOXYWUKSKNFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO5/c16-10-1-3-11(4-2-10)20-7-8-21-12-5-6-13(15(18)19)14(17)9-12/h1-6,9,17H,7-8H2,(H,18,19).
What are the key properties of 4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid?
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid has a molecular weight of 308.72 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid is sourced from PubChem (CID 19857045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).