1-[2-(4-hydroxybutyl)phenyl]ethanone

C12H16O2 — CID 14995224

IUPAC1-[2-(4-hydroxybutyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1CCCCO
InChIInChI=1S/C12H16O2/c1-10(14)12-8-3-2-6-11(12)7-4-5-9-13/h2-3,6,8,13H,4-5,7,9H2,1H3
InChIKeyAPQIZLAJZUEHHP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-(4-hydroxybutyl)phenyl]ethanone

1-[2-(4-hydroxybutyl)phenyl]ethanone (PubChem CID 14995224) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[2-(4-hydroxybutyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-hydroxybutyl)phenyl]ethanone
PubChem CID14995224
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[2-(4-hydroxybutyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1CCCCO
InChIInChI=1S/C12H16O2/c1-10(14)12-8-3-2-6-11(12)7-4-5-9-13/h2-3,6,8,13H,4-5,7,9H2,1H3
InChIKeyAPQIZLAJZUEHHP-UHFFFAOYSA-N
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(3-hydroxypropyl)phenyl]methanone
CID 54073117
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
1-[2-(4-cyclohexylbutyl)phenyl]ethanone
CID 102374896
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
2-[5-(2-carboxylatophenyl)pentyl]benzoate
CID 71439471
3-[2-(5-hydroxypentyl)phenyl]propanoic acid
CID 19921971
1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone
CID 164668619
4-(2-propan-2-ylphenyl)butan-1-ol
CID 54569508
CID 159889030
CID 159889030
2-octylbenzamide
CID 11148995
sodium 2-pentylbenzoate
CID 23698943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxybutyl)phenyl]ethanone?
The IUPAC name of 1-[2-(4-hydroxybutyl)phenyl]ethanone (CID 14995224) is 1-[2-(4-hydroxybutyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-hydroxybutyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-hydroxybutyl)phenyl]ethanone is CC(=O)c1ccccc1CCCCO.
What is the InChIKey of 1-[2-(4-hydroxybutyl)phenyl]ethanone?
The InChIKey is APQIZLAJZUEHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-10(14)12-8-3-2-6-11(12)7-4-5-9-13/h2-3,6,8,13H,4-5,7,9H2,1H3.
What are the key properties of 1-[2-(4-hydroxybutyl)phenyl]ethanone?
1-[2-(4-hydroxybutyl)phenyl]ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxybutyl)phenyl]ethanone is sourced from PubChem (CID 14995224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).