4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one

C17H18O4 — CID 174470153

IUPAC4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one
SMILESCCC(=O)Cc1ccccc1O.O=Cc1ccc(O)cc1
InChIInChI=1S/C10H12O2.C7H6O2/c1-2-9(11)7-8-5-3-4-6-10(8)12;8-5-6-1-3-7(9)4-2-6/h3-6,12H,2,7H2,1H3;1-5,9H
InChIKeyWEPHEMCBTOBGPP-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.12
Rot. Bonds4

About 4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one

4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one (PubChem CID 174470153) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one.

Molecular Properties

Compound Name4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one
PubChem CID174470153
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one
SMILESCCC(=O)Cc1ccccc1O.O=Cc1ccc(O)cc1
InChIInChI=1S/C10H12O2.C7H6O2/c1-2-9(11)7-8-5-3-4-6-10(8)12;8-5-6-1-3-7(9)4-2-6/h3-6,12H,2,7H2,1H3;1-5,9H
InChIKeyWEPHEMCBTOBGPP-UHFFFAOYSA-N
XLogP3.12
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethanol;4-hydroxybenzaldehyde
CID 172788634
chloroethane;4-hydroxybenzaldehyde
CID 174574301
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CID 86610069
4-hydroxybenzaldehyde;1-phenylpropane-1,1-diol
CID 174730907
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
2-(2-hydroxyphenyl)-1-(4-hydroxyphenyl)ethanone
CID 19801522
ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde
CID 136654998
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
4-hydroxy-3-propylbenzaldehyde
CID 57447725
1-amino-3-(2-hydroxyphenyl)propan-2-one
CID 141322546
2-(2-oxobutyl)benzoic acid
CID 12758327
benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol
CID 174235239

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one?
The IUPAC name of 4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one (CID 174470153) is 4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one.
What is the SMILES notation for 4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one?
The canonical SMILES for 4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one is CCC(=O)Cc1ccccc1O.O=Cc1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one?
The InChIKey is WEPHEMCBTOBGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C7H6O2/c1-2-9(11)7-8-5-3-4-6-10(8)12;8-5-6-1-3-7(9)4-2-6/h3-6,12H,2,7H2,1H3;1-5,9H.
What are the key properties of 4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one?
4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one has a molecular weight of 286.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one is sourced from PubChem (CID 174470153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).