5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde

C12H15ClO5S — CID 104665382

IUPAC5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde
SMILESCCS(=O)(=O)CCOc1c(C=O)cc(Cl)cc1OC
InChIInChI=1S/C12H15ClO5S/c1-3-19(15,16)5-4-18-12-9(8-14)6-10(13)7-11(12)17-2/h6-8H,3-5H2,1-2H3
InChIKeyHVZKJZLHJFFIDA-UHFFFAOYSA-N
MW306.77 g/mol
LogP1.97
Rot. Bonds7

About 5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde

5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde (PubChem CID 104665382) has the molecular formula C12H15ClO5S and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde
PubChem CID104665382
Molecular FormulaC12H15ClO5S
Molecular Weight306.77 g/mol
Exact Mass306.03
IUPAC Name5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde
SMILESCCS(=O)(=O)CCOc1c(C=O)cc(Cl)cc1OC
InChIInChI=1S/C12H15ClO5S/c1-3-19(15,16)5-4-18-12-9(8-14)6-10(13)7-11(12)17-2/h6-8H,3-5H2,1-2H3
InChIKeyHVZKJZLHJFFIDA-UHFFFAOYSA-N
XLogP1.97
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823
5-chloro-1-(chloromethyl)-2-(2-ethylsulfonylethoxy)-3-methoxybenzene
CID 104666222
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol
CID 104666078
5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde
CID 104665438
4-(4-chloro-2-formyl-6-methoxyphenoxy)-N,N-dimethylbutanamide
CID 104665290
5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 113438752
1-(bromomethyl)-5-chloro-2-(3-ethylsulfonylpropoxy)-3-methoxybenzene
CID 104666435
5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 104665448
3-(4-chloro-2-formyl-6-methoxyphenoxy)-2,2-dimethylpropanoic acid
CID 113438784
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide
CID 113438774
3,5-dichloro-2-(2-propan-2-ylsulfonylethoxy)benzaldehyde
CID 106725141

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde?
The IUPAC name of 5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde (CID 104665382) is 5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde.
What is the SMILES notation for 5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde?
The canonical SMILES for 5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde is CCS(=O)(=O)CCOc1c(C=O)cc(Cl)cc1OC.
What is the InChIKey of 5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde?
The InChIKey is HVZKJZLHJFFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO5S/c1-3-19(15,16)5-4-18-12-9(8-14)6-10(13)7-11(12)17-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde?
5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde has a molecular weight of 306.77 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde is sourced from PubChem (CID 104665382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).