2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde

C18H15NO2S — CID 87952587

IUPAC2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde
SMILESO=CC(c1ccc(OCc2ccccc2)cc1)c1nccs1
InChIInChI=1S/C18H15NO2S/c20-12-17(18-19-10-11-22-18)15-6-8-16(9-7-15)21-13-14-4-2-1-3-5-14/h1-12,17H,13H2
InChIKeyFMBRKMAJBXTBOY-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.05
Rot. Bonds6

About 2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde

2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde (PubChem CID 87952587) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde
PubChem CID87952587
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde
SMILESO=CC(c1ccc(OCc2ccccc2)cc1)c1nccs1
InChIInChI=1S/C18H15NO2S/c20-12-17(18-19-10-11-22-18)15-6-8-16(9-7-15)21-13-14-4-2-1-3-5-14/h1-12,17H,13H2
InChIKeyFMBRKMAJBXTBOY-UHFFFAOYSA-N
XLogP4.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
methyl 4-oxo-3-(4-phenylmethoxyphenyl)butanoate
CID 118619469
(2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal
CID 125467191
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171211164
4-hydroxy-2-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 46843455
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 141339180
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 10375649
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde (CID 87952587) is 2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde is O=CC(c1ccc(OCc2ccccc2)cc1)c1nccs1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde?
The InChIKey is FMBRKMAJBXTBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-12-17(18-19-10-11-22-18)15-6-8-16(9-7-15)21-13-14-4-2-1-3-5-14/h1-12,17H,13H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde?
2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde has a molecular weight of 309.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)acetaldehyde is sourced from PubChem (CID 87952587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).