2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid

C18H20O5 — CID 19857055

IUPAC2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
SMILESCC(C)c1ccc(OCCOc2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C18H20O5/c1-12(2)13-3-5-14(6-4-13)22-9-10-23-15-7-8-16(18(20)21)17(19)11-15/h3-8,11-12,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyGGUVLIHGVODWIV-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.67
Rot. Bonds7

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

2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid (PubChem CID 19857055) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
PubChem CID19857055
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
SMILESCC(C)c1ccc(OCCOc2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C18H20O5/c1-12(2)13-3-5-14(6-4-13)22-9-10-23-15-7-8-16(18(20)21)17(19)11-15/h3-8,11-12,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyGGUVLIHGVODWIV-UHFFFAOYSA-N
XLogP3.67
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.67
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

2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 90075851
2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid
CID 67375658
3-[4-(4-propan-2-ylphenoxy)butoxy]benzoic acid
CID 82097997
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
2-[2-(4-propan-2-ylphenoxy)ethylperoxy]benzoic acid
CID 22365609
4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857059

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid?
The IUPAC name of 2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid (CID 19857055) is 2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid is CC(C)c1ccc(OCCOc2ccc(C(=O)O)c(O)c2)cc1.
What is the InChIKey of 2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid?
The InChIKey is GGUVLIHGVODWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-12(2)13-3-5-14(6-4-13)22-9-10-23-15-7-8-16(18(20)21)17(19)11-15/h3-8,11-12,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid?
2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid has a molecular weight of 316.35 g/mol, XLogP of 3.67, 7 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-propan-2-ylphenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 19857055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).