butane;1-(4-hydroxyphenyl)ethanone

C12H18O2 — CID 142352310

IUPACbutane;1-(4-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(O)cc1.CCCC
InChIInChI=1S/C8H8O2.C4H10/c1-6(9)7-2-4-8(10)5-3-7;1-3-4-2/h2-5,10H,1H3;3-4H2,1-2H3
InChIKeyWDAUZFKPQSLXFS-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.40
Rot. Bonds2

About butane;1-(4-hydroxyphenyl)ethanone

butane;1-(4-hydroxyphenyl)ethanone (PubChem CID 142352310) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is butane;1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Namebutane;1-(4-hydroxyphenyl)ethanone
PubChem CID142352310
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namebutane;1-(4-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(O)cc1.CCCC
InChIInChI=1S/C8H8O2.C4H10/c1-6(9)7-2-4-8(10)5-3-7;1-3-4-2/h2-5,10H,1H3;3-4H2,1-2H3
InChIKeyWDAUZFKPQSLXFS-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-hydroxyphenyl)pentane-1,2-dione
CID 125478605
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Frequently Asked Questions

What is the IUPAC name of butane;1-(4-hydroxyphenyl)ethanone?
The IUPAC name of butane;1-(4-hydroxyphenyl)ethanone (CID 142352310) is butane;1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for butane;1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for butane;1-(4-hydroxyphenyl)ethanone is CC(=O)c1ccc(O)cc1.CCCC.
What is the InChIKey of butane;1-(4-hydroxyphenyl)ethanone?
The InChIKey is WDAUZFKPQSLXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C4H10/c1-6(9)7-2-4-8(10)5-3-7;1-3-4-2/h2-5,10H,1H3;3-4H2,1-2H3.
What are the key properties of butane;1-(4-hydroxyphenyl)ethanone?
butane;1-(4-hydroxyphenyl)ethanone has a molecular weight of 194.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 142352310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).