1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol

C9H10Cl3NO2 — CID 16642389

IUPAC1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol
SMILESNCC(O)COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3NO2/c10-5-1-7(11)9(8(12)2-5)15-4-6(14)3-13/h1-2,6,14H,3-4,13H2
InChIKeyIYICVBVLCCFGOY-UHFFFAOYSA-N
MW270.54 g/mol
LogP2.35
Rot. Bonds4

About 1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol

1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol (PubChem CID 16642389) has the molecular formula C9H10Cl3NO2 and a molecular weight of 270.54 g/mol. Its IUPAC name is 1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol
PubChem CID16642389
Molecular FormulaC9H10Cl3NO2
Molecular Weight270.54 g/mol
Exact Mass268.98
IUPAC Name1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol
SMILESNCC(O)COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3NO2/c10-5-1-7(11)9(8(12)2-5)15-4-6(14)3-13/h1-2,6,14H,3-4,13H2
InChIKeyIYICVBVLCCFGOY-UHFFFAOYSA-N
XLogP2.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.54
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 95488
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CID 107371
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CID 3842173
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CID 7139321
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CID 2918568
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CID 61957
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CID 210928
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CID 2735788
CID 2735788

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol (CID 16642389) is 1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol is NCC(O)COc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The InChIKey is IYICVBVLCCFGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3NO2/c10-5-1-7(11)9(8(12)2-5)15-4-6(14)3-13/h1-2,6,14H,3-4,13H2.
What are the key properties of 1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol?
1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol has a molecular weight of 270.54 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol is sourced from PubChem (CID 16642389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).