2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde

C19H16ClNO3S — CID 88921265

IUPAC2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
SMILESCCc1cccc(Cl)c1Oc1ncc(Oc2ccc(CC=O)cc2)s1
InChIInChI=1S/C19H16ClNO3S/c1-2-14-4-3-5-16(20)18(14)24-19-21-12-17(25-19)23-15-8-6-13(7-9-15)10-11-22/h3-9,11-12H,2,10H2,1H3
InChIKeyGRZKCTDMYRPYPB-UHFFFAOYSA-N
MW373.86 g/mol
LogP5.68
Rot. Bonds7

About 2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde

2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde (PubChem CID 88921265) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
PubChem CID88921265
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
SMILESCCc1cccc(Cl)c1Oc1ncc(Oc2ccc(CC=O)cc2)s1
InChIInChI=1S/C19H16ClNO3S/c1-2-14-4-3-5-16(20)18(14)24-19-21-12-17(25-19)23-15-8-6-13(7-9-15)10-11-22/h3-9,11-12H,2,10H2,1H3
InChIKeyGRZKCTDMYRPYPB-UHFFFAOYSA-N
XLogP5.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.86
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde?
The IUPAC name of 2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde (CID 88921265) is 2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde?
The canonical SMILES for 2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde is CCc1cccc(Cl)c1Oc1ncc(Oc2ccc(CC=O)cc2)s1.
What is the InChIKey of 2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde?
The InChIKey is GRZKCTDMYRPYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-2-14-4-3-5-16(20)18(14)24-19-21-12-17(25-19)23-15-8-6-13(7-9-15)10-11-22/h3-9,11-12H,2,10H2,1H3.
What are the key properties of 2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde?
2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde has a molecular weight of 373.86 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-chloro-6-ethylphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde is sourced from PubChem (CID 88921265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).