4-(4-hydroxyphenyl)butan-2-one

C10H12O2 — CID 21648

IUPAC4-(4-hydroxyphenyl)butan-2-one
SMILESCC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
InChIKeyNJGBTKGETPDVIK-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.91
Rot. Bonds3

About 4-(4-hydroxyphenyl)butan-2-one

4-(4-hydroxyphenyl)butan-2-one (PubChem CID 21648) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)butan-2-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)butan-2-one
PubChem CID21648
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-(4-hydroxyphenyl)butan-2-one
SMILESCC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
InChIKeyNJGBTKGETPDVIK-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)butan-2-one?
The IUPAC name of 4-(4-hydroxyphenyl)butan-2-one (CID 21648) is 4-(4-hydroxyphenyl)butan-2-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)butan-2-one?
The canonical SMILES for 4-(4-hydroxyphenyl)butan-2-one is CC(=O)CCc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)butan-2-one?
The InChIKey is NJGBTKGETPDVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3.
What are the key properties of 4-(4-hydroxyphenyl)butan-2-one?
4-(4-hydroxyphenyl)butan-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)butan-2-one is sourced from PubChem (CID 21648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).