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

C12H16O2 — CID 14995223

IUPAC1-[4-(4-hydroxybutyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CCCCO)cc1
InChIInChI=1S/C12H16O2/c1-10(14)12-7-5-11(6-8-12)4-2-3-9-13/h5-8,13H,2-4,9H2,1H3
InChIKeyDHNNGWOSMPHTCN-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.20
Rot. Bonds5

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

1-[4-(4-hydroxybutyl)phenyl]ethanone (PubChem CID 14995223) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[4-(4-hydroxybutyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxybutyl)phenyl]ethanone
PubChem CID14995223
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[4-(4-hydroxybutyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CCCCO)cc1
InChIInChI=1S/C12H16O2/c1-10(14)12-7-5-11(6-8-12)4-2-3-9-13/h5-8,13H,2-4,9H2,1H3
InChIKeyDHNNGWOSMPHTCN-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

ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone
CID 97356056
1-(4-hydroxyphenyl)ethanone;4-pentylphenol
CID 70426923
1-[4-(2-iodoethyl)phenyl]ethanone
CID 18402562
2-bromo-1-[4-(8-hydroxyoctyl)phenyl]ethanone
CID 86722515
4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
4-(4-propylphenyl)butan-1-ol
CID 10511962
3-(4-acetylphenyl)propanal
CID 11030349
3-chloro-1-[4-(6-hydroxyhexyl)phenyl]propan-1-one
CID 18759605
1-[4-[3,3-bis(methylamino)propyl]phenyl]ethanone
CID 175185737
4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid
CID 134473552
4-(12-hydroxydodecyl)phenol
CID 139809285

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxybutyl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-hydroxybutyl)phenyl]ethanone (CID 14995223) is 1-[4-(4-hydroxybutyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-hydroxybutyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-hydroxybutyl)phenyl]ethanone is CC(=O)c1ccc(CCCCO)cc1.
What is the InChIKey of 1-[4-(4-hydroxybutyl)phenyl]ethanone?
The InChIKey is DHNNGWOSMPHTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-10(14)12-7-5-11(6-8-12)4-2-3-9-13/h5-8,13H,2-4,9H2,1H3.
What are the key properties of 1-[4-(4-hydroxybutyl)phenyl]ethanone?
1-[4-(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-[4-(4-hydroxybutyl)phenyl]ethanone is sourced from PubChem (CID 14995223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).