4'-Hydroxyacetophenone

C8H8O2 — CID 7469

IUPAC1-(4-hydroxyphenyl)ethanone
SMILESCC(=O)C1=CC=C(C=C1)O
InChIInChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
InChIKeyTXFPEBPIARQUIG-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.40
Rot. Bonds1

About 4'-Hydroxyacetophenone

4'-Hydroxyacetophenone (PubChem CID 7469) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name4'-Hydroxyacetophenone
PubChem CID7469
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name1-(4-hydroxyphenyl)ethanone
SMILESCC(=O)C1=CC=C(C=C1)O
InChIInChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
InChIKeyTXFPEBPIARQUIG-UHFFFAOYSA-N
XLogP1.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity123

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Methylparaben
CID 7456
Propylparaben
CID 7175
Butylparaben
CID 7184
Ethylparaben
CID 8434
4-Hydroxybenzaldehyde
CID 126
Hydroxyphenylacetic acid
CID 127
4-(4'-Hydroxyphenyl)-2-butanone
CID 21648
2'-Hydroxyacetophenone
CID 8375
4'-Methoxyacetophenone
CID 7476
3-(4-Hydroxyphenyl)propionic acid
CID 10394
4-Hydroxyphenylpyruvic Acid
CID 979

Frequently Asked Questions

What is the IUPAC name of 4'-Hydroxyacetophenone?
The IUPAC name of 4'-Hydroxyacetophenone (CID 7469) is 1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 4'-Hydroxyacetophenone?
The canonical SMILES for 4'-Hydroxyacetophenone is CC(=O)C1=CC=C(C=C1)O.
What is the InChIKey of 4'-Hydroxyacetophenone?
The InChIKey is TXFPEBPIARQUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3.
What are the key properties of 4'-Hydroxyacetophenone?
4'-Hydroxyacetophenone has a molecular weight of 136.15 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-Hydroxyacetophenone is sourced from PubChem (CID 7469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).