3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride

C14H21ClO4S — CID 107668926

IUPAC3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCCc1ccc(OCC(C)(C)CS(=O)(=O)Cl)c(OC)c1
InChIInChI=1S/C14H21ClO4S/c1-5-11-6-7-12(13(8-11)18-4)19-9-14(2,3)10-20(15,16)17/h6-8H,5,9-10H2,1-4H3
InChIKeyYHGNVSLCHRCVMI-UHFFFAOYSA-N
MW320.84 g/mol
LogP3.23
Rot. Bonds7

About 3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride

3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride (PubChem CID 107668926) has the molecular formula C14H21ClO4S and a molecular weight of 320.84 g/mol. Its IUPAC name is 3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
PubChem CID107668926
Molecular FormulaC14H21ClO4S
Molecular Weight320.84 g/mol
Exact Mass320.08
IUPAC Name3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCCc1ccc(OCC(C)(C)CS(=O)(=O)Cl)c(OC)c1
InChIInChI=1S/C14H21ClO4S/c1-5-11-6-7-12(13(8-11)18-4)19-9-14(2,3)10-20(15,16)17/h6-8H,5,9-10H2,1-4H3
InChIKeyYHGNVSLCHRCVMI-UHFFFAOYSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
CID 165446004
4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene
CID 91235271
1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
CID 107664506
sodium 4-ethyl-2-methoxybenzenesulfonate
CID 140661935
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
CID 104637822
(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
CID 107663541
2-chloro-4-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 113341586
1-(5-chloro-3-methylpentoxy)-4-ethyl-2-methoxybenzene
CID 107664504
4-ethyl-1,2-bis(methoxymethoxy)benzene
CID 59060180
1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
CID 87637876

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride?
The IUPAC name of 3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride (CID 107668926) is 3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride is CCc1ccc(OCC(C)(C)CS(=O)(=O)Cl)c(OC)c1.
What is the InChIKey of 3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride?
The InChIKey is YHGNVSLCHRCVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO4S/c1-5-11-6-7-12(13(8-11)18-4)19-9-14(2,3)10-20(15,16)17/h6-8H,5,9-10H2,1-4H3.
What are the key properties of 3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride?
3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride has a molecular weight of 320.84 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride is sourced from PubChem (CID 107668926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).