4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one

C11H14O3 — CID 66769730

IUPAC4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one
SMILESCC(O)C(=O)CCc1ccc(O)cc1
InChIInChI=1S/C11H14O3/c1-8(12)11(14)7-4-9-2-5-10(13)6-3-9/h2-3,5-6,8,12-13H,4,7H2,1H3
InChIKeyAOKJDVRJCHWYFA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.27
Rot. Bonds4

About 4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one

4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one (PubChem CID 66769730) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one
PubChem CID66769730
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one
SMILESCC(O)C(=O)CCc1ccc(O)cc1
InChIInChI=1S/C11H14O3/c1-8(12)11(14)7-4-9-2-5-10(13)6-3-9/h2-3,5-6,8,12-13H,4,7H2,1H3
InChIKeyAOKJDVRJCHWYFA-UHFFFAOYSA-N
XLogP1.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
CID 163078675
N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 177141881
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
diethyl 2-[3-(4-hydroxyphenyl)propanoyloxy]propanedioate
CID 14748412
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
1-(4-hydroxyphenyl)heptan-3-one
CID 154262256
4-methyl-1-[4-(2-methylpropanoyl)phenyl]pentan-3-one
CID 90089591
4-(4-methyl-3-oxopentyl)benzoic acid
CID 157191269
N-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 56659537
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718
6-hydroxy-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one
CID 85223893

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one?
The IUPAC name of 4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one (CID 66769730) is 4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one.
What is the SMILES notation for 4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one?
The canonical SMILES for 4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one is CC(O)C(=O)CCc1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one?
The InChIKey is AOKJDVRJCHWYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(12)11(14)7-4-9-2-5-10(13)6-3-9/h2-3,5-6,8,12-13H,4,7H2,1H3.
What are the key properties of 4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one?
4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one has a molecular weight of 194.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one is sourced from PubChem (CID 66769730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).