1-(4-hydroxyphenyl)ethanone;4-pentylphenol

C19H24O3 — CID 70426923

IUPAC1-(4-hydroxyphenyl)ethanone;4-pentylphenol
SMILESCC(=O)c1ccc(O)cc1.CCCCCc1ccc(O)cc1
InChIInChI=1S/C11H16O.C8H8O2/c1-2-3-4-5-10-6-8-11(12)9-7-10;1-6(9)7-2-4-8(10)5-3-7/h6-9,12H,2-5H2,1H3;2-5,10H,1H3
InChIKeyHZUZKAJXVCEGPU-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.72
Rot. Bonds5

About 1-(4-hydroxyphenyl)ethanone;4-pentylphenol

1-(4-hydroxyphenyl)ethanone;4-pentylphenol (PubChem CID 70426923) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)ethanone;4-pentylphenol.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)ethanone;4-pentylphenol
PubChem CID70426923
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name1-(4-hydroxyphenyl)ethanone;4-pentylphenol
SMILESCC(=O)c1ccc(O)cc1.CCCCCc1ccc(O)cc1
InChIInChI=1S/C11H16O.C8H8O2/c1-2-3-4-5-10-6-8-11(12)9-7-10;1-6(9)7-2-4-8(10)5-3-7/h6-9,12H,2-5H2,1H3;2-5,10H,1H3
InChIKeyHZUZKAJXVCEGPU-UHFFFAOYSA-N
XLogP4.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.72
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

ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
butane;1-(4-hydroxyphenyl)ethanone
CID 142352310
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845
tris(4-nonylphenol);phosphoric acid
CID 71361187
4-pentylbenzoyl bromide
CID 87349955

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)ethanone;4-pentylphenol?
The IUPAC name of 1-(4-hydroxyphenyl)ethanone;4-pentylphenol (CID 70426923) is 1-(4-hydroxyphenyl)ethanone;4-pentylphenol.
What is the SMILES notation for 1-(4-hydroxyphenyl)ethanone;4-pentylphenol?
The canonical SMILES for 1-(4-hydroxyphenyl)ethanone;4-pentylphenol is CC(=O)c1ccc(O)cc1.CCCCCc1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)ethanone;4-pentylphenol?
The InChIKey is HZUZKAJXVCEGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C8H8O2/c1-2-3-4-5-10-6-8-11(12)9-7-10;1-6(9)7-2-4-8(10)5-3-7/h6-9,12H,2-5H2,1H3;2-5,10H,1H3.
What are the key properties of 1-(4-hydroxyphenyl)ethanone;4-pentylphenol?
1-(4-hydroxyphenyl)ethanone;4-pentylphenol has a molecular weight of 300.40 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)ethanone;4-pentylphenol is sourced from PubChem (CID 70426923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).