4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride

C15H21ClO3S — CID 63863945

IUPAC4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
SMILESCCC1CCCCC1Oc1ccc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C15H21ClO3S/c1-3-12-6-4-5-7-15(12)19-14-9-8-13(10-11(14)2)20(16,17)18/h8-10,12,15H,3-7H2,1-2H3
InChIKeyYMHFFAUYTYINOP-UHFFFAOYSA-N
MW316.85 g/mol
LogP4.27
Rot. Bonds4

About 4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride

4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride (PubChem CID 63863945) has the molecular formula C15H21ClO3S and a molecular weight of 316.85 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
PubChem CID63863945
Molecular FormulaC15H21ClO3S
Molecular Weight316.85 g/mol
Exact Mass316.09
IUPAC Name4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
SMILESCCC1CCCCC1Oc1ccc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C15H21ClO3S/c1-3-12-6-4-5-7-15(12)19-14-9-8-13(10-11(14)2)20(16,17)18/h8-10,12,15H,3-7H2,1-2H3
InChIKeyYMHFFAUYTYINOP-UHFFFAOYSA-N
XLogP4.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
CID 82935748
5-bromo-2-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
CID 63861766
3-methyl-4-(2-oxoazepan-3-yl)oxybenzenesulfonyl chloride
CID 82916398
2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene
CID 55252184
[2-(2-ethylcyclohexyl)oxy-5-methylphenyl]methanol
CID 55251780
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526
1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 63862858
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228
4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene
CID 63863238
4-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-1-nitrobenzene
CID 63862690
6-(2-ethylcyclohexyl)oxypyridine-3-sulfonamide
CID 112572614

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride (CID 63863945) is 4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride is CCC1CCCCC1Oc1ccc(S(=O)(=O)Cl)cc1C.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride?
The InChIKey is YMHFFAUYTYINOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3S/c1-3-12-6-4-5-7-15(12)19-14-9-8-13(10-11(14)2)20(16,17)18/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of 4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride?
4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride has a molecular weight of 316.85 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 63863945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).