2-(4-methylphenoxy)ethanol;thionyl dichloride

C9H12Cl2O3S — CID 91035331

IUPAC2-(4-methylphenoxy)ethanol;thionyl dichloride
SMILESCc1ccc(OCCO)cc1.O=S(Cl)Cl
InChIInChI=1S/C9H12O2.Cl2OS/c1-8-2-4-9(5-3-8)11-7-6-10;1-4(2)3/h2-5,10H,6-7H2,1H3;
InChIKeyGGFNOWROXVOZNY-UHFFFAOYSA-N
MW271.17 g/mol
LogP2.41
Rot. Bonds3

About 2-(4-methylphenoxy)ethanol;thionyl dichloride

2-(4-methylphenoxy)ethanol;thionyl dichloride (PubChem CID 91035331) has the molecular formula C9H12Cl2O3S and a molecular weight of 271.17 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethanol;thionyl dichloride.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethanol;thionyl dichloride
PubChem CID91035331
Molecular FormulaC9H12Cl2O3S
Molecular Weight271.17 g/mol
Exact Mass269.99
IUPAC Name2-(4-methylphenoxy)ethanol;thionyl dichloride
SMILESCc1ccc(OCCO)cc1.O=S(Cl)Cl
InChIInChI=1S/C9H12O2.Cl2OS/c1-8-2-4-9(5-3-8)11-7-6-10;1-4(2)3/h2-5,10H,6-7H2,1H3;
InChIKeyGGFNOWROXVOZNY-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 162335780
CID 162335780
2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol
CID 139605342
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
1-hydroxy-4-(4-methylphenoxy)butan-2-one
CID 95437360
2-[4-(3,4-dimethylphenyl)phenoxy]ethanol
CID 82117712
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
methyl acetate;6-(4-methylphenoxy)hexan-1-ol
CID 144725610
ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate
CID 23213034
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
2-(4-chlorophenoxy)ethanol;methanesulfonic acid
CID 71365177
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
CID 175309194

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethanol;thionyl dichloride?
The IUPAC name of 2-(4-methylphenoxy)ethanol;thionyl dichloride (CID 91035331) is 2-(4-methylphenoxy)ethanol;thionyl dichloride.
What is the SMILES notation for 2-(4-methylphenoxy)ethanol;thionyl dichloride?
The canonical SMILES for 2-(4-methylphenoxy)ethanol;thionyl dichloride is Cc1ccc(OCCO)cc1.O=S(Cl)Cl.
What is the InChIKey of 2-(4-methylphenoxy)ethanol;thionyl dichloride?
The InChIKey is GGFNOWROXVOZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.Cl2OS/c1-8-2-4-9(5-3-8)11-7-6-10;1-4(2)3/h2-5,10H,6-7H2,1H3;.
What are the key properties of 2-(4-methylphenoxy)ethanol;thionyl dichloride?
2-(4-methylphenoxy)ethanol;thionyl dichloride has a molecular weight of 271.17 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethanol;thionyl dichloride is sourced from PubChem (CID 91035331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).