phenylmethanol;thionyl dichloride

C7H8Cl2O2S — CID 86740771

IUPACphenylmethanol;thionyl dichloride
SMILESO=S(Cl)Cl.OCc1ccccc1
InChIInChI=1S/C7H8O.Cl2OS/c8-6-7-4-2-1-3-5-7;1-4(2)3/h1-5,8H,6H2;
InChIKeyYHUCKMREJPRVFR-UHFFFAOYSA-N
MW227.11 g/mol
LogP2.22
Rot. Bonds1

About phenylmethanol;thionyl dichloride

phenylmethanol;thionyl dichloride (PubChem CID 86740771) has the molecular formula C7H8Cl2O2S and a molecular weight of 227.11 g/mol. Its IUPAC name is phenylmethanol;thionyl dichloride.

Molecular Properties

Compound Namephenylmethanol;thionyl dichloride
PubChem CID86740771
Molecular FormulaC7H8Cl2O2S
Molecular Weight227.11 g/mol
Exact Mass225.96
IUPAC Namephenylmethanol;thionyl dichloride
SMILESO=S(Cl)Cl.OCc1ccccc1
InChIInChI=1S/C7H8O.Cl2OS/c8-6-7-4-2-1-3-5-7;1-4(2)3/h1-5,8H,6H2;
InChIKeyYHUCKMREJPRVFR-UHFFFAOYSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenylmethanol;thionyl dichloride?
The IUPAC name of phenylmethanol;thionyl dichloride (CID 86740771) is phenylmethanol;thionyl dichloride.
What is the SMILES notation for phenylmethanol;thionyl dichloride?
The canonical SMILES for phenylmethanol;thionyl dichloride is O=S(Cl)Cl.OCc1ccccc1.
What is the InChIKey of phenylmethanol;thionyl dichloride?
The InChIKey is YHUCKMREJPRVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.Cl2OS/c8-6-7-4-2-1-3-5-7;1-4(2)3/h1-5,8H,6H2;.
What are the key properties of phenylmethanol;thionyl dichloride?
phenylmethanol;thionyl dichloride has a molecular weight of 227.11 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanol;thionyl dichloride is sourced from PubChem (CID 86740771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).