3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid

C19H22O4 — CID 83951930

IUPAC3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
SMILESCCCCOc1ccc(CC(C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O4/c1-2-3-12-23-17-10-4-14(5-11-17)13-18(19(21)22)15-6-8-16(20)9-7-15/h4-11,18,20H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyQWGMAMNNDFJFDW-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.98
Rot. Bonds8

About 3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid

3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid (PubChem CID 83951930) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
PubChem CID83951930
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
SMILESCCCCOc1ccc(CC(C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O4/c1-2-3-12-23-17-10-4-14(5-11-17)13-18(19(21)22)15-6-8-16(20)9-7-15/h4-11,18,20H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyQWGMAMNNDFJFDW-UHFFFAOYSA-N
XLogP3.98
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenyl)-3-(4-propoxyphenyl)propanoic acid
CID 67490583
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
(2S)-3-amino-2-(4-butoxyphenyl)propanoic acid
CID 125032808
3-(2-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954503
2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide
CID 53315833
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
4-[2-(4-hexoxyphenyl)propyl]phenol
CID 174617402
(2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 40563834
(2S)-2-(4-butoxyphenyl)-3-dimethylphosphorylpropanoic acid
CID 125466727
(2R)-2-(4-butoxyphenyl)-3-dimethylphosphorylpropanoic acid
CID 125466729
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
3-(4-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22685131

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid (CID 83951930) is 3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid is CCCCOc1ccc(CC(C(=O)O)c2ccc(O)cc2)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The InChIKey is QWGMAMNNDFJFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-2-3-12-23-17-10-4-14(5-11-17)13-18(19(21)22)15-6-8-16(20)9-7-15/h4-11,18,20H,2-3,12-13H2,1H3,(H,21,22).
What are the key properties of 3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 83951930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).