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

C21H24O5 — CID 19857059

IUPAC4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1O
InChIInChI=1S/C21H24O5/c22-20-14-18(10-11-19(20)21(23)24)26-13-12-25-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,14-15,22H,1-5,12-13H2,(H,23,24)
InChIKeyQDCMRLGWDDCAGX-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.60
Rot. Bonds7

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

4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid (PubChem CID 19857059) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid
PubChem CID19857059
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1O
InChIInChI=1S/C21H24O5/c22-20-14-18(10-11-19(20)21(23)24)26-13-12-25-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,14-15,22H,1-5,12-13H2,(H,23,24)
InChIKeyQDCMRLGWDDCAGX-UHFFFAOYSA-N
XLogP4.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.60
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-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
CID 22682606
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-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 19857055
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426
2-(4-cyclohexylphenoxy)ethanamine
CID 542015
2-(4-cyclohexylphenoxy)ethylazanium
CID 7273660

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid?
The IUPAC name of 4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid (CID 19857059) is 4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid is O=C(O)c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1O.
What is the InChIKey of 4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid?
The InChIKey is QDCMRLGWDDCAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c22-20-14-18(10-11-19(20)21(23)24)26-13-12-25-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,14-15,22H,1-5,12-13H2,(H,23,24).
What are the key properties of 4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid?
4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid has a molecular weight of 356.42 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid is sourced from PubChem (CID 19857059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).