4-chlorophenol;methoxymethane

C8H11ClO2 — CID 23617160

IUPAC4-chlorophenol;methoxymethane
SMILESCOC.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C2H6O/c7-5-1-3-6(8)4-2-5;1-3-2/h1-4,8H;1-2H3
InChIKeyVZAQPLDBUWBXMH-UHFFFAOYSA-N
MW174.63 g/mol
LogP2.31
Rot. Bonds

About 4-chlorophenol;methoxymethane

4-chlorophenol;methoxymethane (PubChem CID 23617160) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is 4-chlorophenol;methoxymethane.

Molecular Properties

Compound Name4-chlorophenol;methoxymethane
PubChem CID23617160
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Name4-chlorophenol;methoxymethane
SMILESCOC.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C2H6O/c7-5-1-3-6(8)4-2-5;1-3-2/h1-4,8H;1-2H3
InChIKeyVZAQPLDBUWBXMH-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chlorophenol;methoxymethane?
The IUPAC name of 4-chlorophenol;methoxymethane (CID 23617160) is 4-chlorophenol;methoxymethane.
What is the SMILES notation for 4-chlorophenol;methoxymethane?
The canonical SMILES for 4-chlorophenol;methoxymethane is COC.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol;methoxymethane?
The InChIKey is VZAQPLDBUWBXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.C2H6O/c7-5-1-3-6(8)4-2-5;1-3-2/h1-4,8H;1-2H3.
What are the key properties of 4-chlorophenol;methoxymethane?
4-chlorophenol;methoxymethane has a molecular weight of 174.63 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol;methoxymethane is sourced from PubChem (CID 23617160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).