3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde

C21H16O3 — CID 101432485

IUPAC3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde
SMILESO=Cc1cccc(C(O)c2cccc(C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C21H16O3/c22-14-15-6-4-9-17(12-15)21(24)19-11-5-10-18(13-19)20(23)16-7-2-1-3-8-16/h1-14,21,24H
InChIKeyWNYRYJUFRVIKNN-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.81
Rot. Bonds5

About 3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde

3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde (PubChem CID 101432485) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde.

Molecular Properties

Compound Name3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde
PubChem CID101432485
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde
SMILESO=Cc1cccc(C(O)c2cccc(C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C21H16O3/c22-14-15-6-4-9-17(12-15)21(24)19-11-5-10-18(13-19)20(23)16-7-2-1-3-8-16/h1-14,21,24H
InChIKeyWNYRYJUFRVIKNN-UHFFFAOYSA-N
XLogP3.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenylmethanol;diphenylmethanone
CID 67159414
[3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone
CID 101432488
magnesium;benzene;methyl 3-formylbenzoate;methyl 3-[hydroxy(phenyl)methyl]benzoate;bromide
CID 159418506
6-benzoylnaphthalene-2-carbaldehyde
CID 160521224
3-[(3-ethenylphenyl)-hydroxymethyl]benzamide
CID 118355740
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
3-(1-hydroxy-2,2-dimethylpropyl)benzaldehyde
CID 115019110
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
4-[hydroxy(phenyl)methyl]benzaldehyde
CID 11806006
3-[chloro-(3-formylphenyl)methyl]benzaldehyde
CID 57015313
CID 66964934
CID 66964934

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde?
The IUPAC name of 3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde (CID 101432485) is 3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde.
What is the SMILES notation for 3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde?
The canonical SMILES for 3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde is O=Cc1cccc(C(O)c2cccc(C(=O)c3ccccc3)c2)c1.
What is the InChIKey of 3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde?
The InChIKey is WNYRYJUFRVIKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c22-14-15-6-4-9-17(12-15)21(24)19-11-5-10-18(13-19)20(23)16-7-2-1-3-8-16/h1-14,21,24H.
What are the key properties of 3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde?
3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde has a molecular weight of 316.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde is sourced from PubChem (CID 101432485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).