1-(4-butylphenyl)-2-hydroxyethanone

C12H16O2 — CID 95436919

IUPAC1-(4-butylphenyl)-2-hydroxyethanone
SMILESCCCCc1ccc(C(=O)CO)cc1
InChIInChI=1S/C12H16O2/c1-2-3-4-10-5-7-11(8-6-10)12(14)9-13/h5-8,13H,2-4,9H2,1H3
InChIKeyUFWAOPNIHOKZRD-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.20
Rot. Bonds5

About 1-(4-butylphenyl)-2-hydroxyethanone

1-(4-butylphenyl)-2-hydroxyethanone (PubChem CID 95436919) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(4-butylphenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-butylphenyl)-2-hydroxyethanone
PubChem CID95436919
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(4-butylphenyl)-2-hydroxyethanone
SMILESCCCCc1ccc(C(=O)CO)cc1
InChIInChI=1S/C12H16O2/c1-2-3-4-10-5-7-11(8-6-10)12(14)9-13/h5-8,13H,2-4,9H2,1H3
InChIKeyUFWAOPNIHOKZRD-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

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Related Compounds

2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
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1-(4-butylphenyl)-2-sulfanylethanone
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4-butyl-N,N-diethylbenzamide
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4-(4-butylphenyl)-4-oxobutanamide
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CID 69445910
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CID 122396068
1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
CID 134887749
7-(4-butylphenyl)-7-oxoheptanoic acid
CID 24727167
1-(4-butylphenyl)heptane-1,5-dione
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CID 146005458

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-2-hydroxyethanone?
The IUPAC name of 1-(4-butylphenyl)-2-hydroxyethanone (CID 95436919) is 1-(4-butylphenyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(4-butylphenyl)-2-hydroxyethanone?
The canonical SMILES for 1-(4-butylphenyl)-2-hydroxyethanone is CCCCc1ccc(C(=O)CO)cc1.
What is the InChIKey of 1-(4-butylphenyl)-2-hydroxyethanone?
The InChIKey is UFWAOPNIHOKZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-3-4-10-5-7-11(8-6-10)12(14)9-13/h5-8,13H,2-4,9H2,1H3.
What are the key properties of 1-(4-butylphenyl)-2-hydroxyethanone?
1-(4-butylphenyl)-2-hydroxyethanone 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-butylphenyl)-2-hydroxyethanone is sourced from PubChem (CID 95436919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).