4-butylphenol;propanoic acid

C13H20O3 — CID 70308169

IUPAC4-butylphenol;propanoic acid
SMILESCCC(=O)O.CCCCc1ccc(O)cc1
InChIInChI=1S/C10H14O.C3H6O2/c1-2-3-4-9-5-7-10(11)8-6-9;1-2-3(4)5/h5-8,11H,2-4H2,1H3;2H2,1H3,(H,4,5)
InChIKeyRAUVKJQBNAXAMI-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.22
Rot. Bonds4

About 4-butylphenol;propanoic acid

4-butylphenol;propanoic acid (PubChem CID 70308169) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-butylphenol;propanoic acid.

Molecular Properties

Compound Name4-butylphenol;propanoic acid
PubChem CID70308169
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-butylphenol;propanoic acid
SMILESCCC(=O)O.CCCCc1ccc(O)cc1
InChIInChI=1S/C10H14O.C3H6O2/c1-2-3-4-9-5-7-10(11)8-6-9;1-2-3(4)5/h5-8,11H,2-4H2,1H3;2H2,1H3,(H,4,5)
InChIKeyRAUVKJQBNAXAMI-UHFFFAOYSA-N
XLogP3.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butylphenol;tungsten
CID 174758928
lithium;4-butylphenol;hydride
CID 174758234
(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
4-butylphenol;phenol;4-propylphenol
CID 157420199
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
4-butylphenol;3,5-dibutylphenol
CID 159891553
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
1-(4-hydroxyphenyl)ethanone;4-pentylphenol
CID 70426923
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845

Frequently Asked Questions

What is the IUPAC name of 4-butylphenol;propanoic acid?
The IUPAC name of 4-butylphenol;propanoic acid (CID 70308169) is 4-butylphenol;propanoic acid.
What is the SMILES notation for 4-butylphenol;propanoic acid?
The canonical SMILES for 4-butylphenol;propanoic acid is CCC(=O)O.CCCCc1ccc(O)cc1.
What is the InChIKey of 4-butylphenol;propanoic acid?
The InChIKey is RAUVKJQBNAXAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C3H6O2/c1-2-3-4-9-5-7-10(11)8-6-9;1-2-3(4)5/h5-8,11H,2-4H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 4-butylphenol;propanoic acid?
4-butylphenol;propanoic acid has a molecular weight of 224.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylphenol;propanoic acid is sourced from PubChem (CID 70308169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).