4-chlorophenol;N,N-diethylethanamine

C12H20ClNO — CID 174326109

IUPAC4-chlorophenol;N,N-diethylethanamine
SMILESCCN(CC)CC.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C6H15N/c7-5-1-3-6(8)4-2-5;1-4-7(5-2)6-3/h1-4,8H;4-6H2,1-3H3
InChIKeyDJYIQAQGGTWIMA-UHFFFAOYSA-N
MW229.75 g/mol
LogP3.39
Rot. Bonds3

About 4-chlorophenol;N,N-diethylethanamine

4-chlorophenol;N,N-diethylethanamine (PubChem CID 174326109) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 4-chlorophenol;N,N-diethylethanamine.

Molecular Properties

Compound Name4-chlorophenol;N,N-diethylethanamine
PubChem CID174326109
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name4-chlorophenol;N,N-diethylethanamine
SMILESCCN(CC)CC.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C6H15N/c7-5-1-3-6(8)4-2-5;1-4-7(5-2)6-3/h1-4,8H;4-6H2,1-3H3
InChIKeyDJYIQAQGGTWIMA-UHFFFAOYSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chlorophenol;N,N-diethylethanamine?
The IUPAC name of 4-chlorophenol;N,N-diethylethanamine (CID 174326109) is 4-chlorophenol;N,N-diethylethanamine.
What is the SMILES notation for 4-chlorophenol;N,N-diethylethanamine?
The canonical SMILES for 4-chlorophenol;N,N-diethylethanamine is CCN(CC)CC.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol;N,N-diethylethanamine?
The InChIKey is DJYIQAQGGTWIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.C6H15N/c7-5-1-3-6(8)4-2-5;1-4-7(5-2)6-3/h1-4,8H;4-6H2,1-3H3.
What are the key properties of 4-chlorophenol;N,N-diethylethanamine?
4-chlorophenol;N,N-diethylethanamine has a molecular weight of 229.75 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol;N,N-diethylethanamine is sourced from PubChem (CID 174326109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).