1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol

C11H11Cl3O2 — CID 63907675

IUPAC1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol
SMILESOC(COc1c(Cl)cc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C11H11Cl3O2/c12-7-3-8(13)11(9(14)4-7)16-5-10(15)6-1-2-6/h3-4,6,10,15H,1-2,5H2
InChIKeyBSSSKTRPUPTDRJ-UHFFFAOYSA-N
MW281.57 g/mol
LogP3.80
Rot. Bonds4

About 1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol

1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol (PubChem CID 63907675) has the molecular formula C11H11Cl3O2 and a molecular weight of 281.57 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol
PubChem CID63907675
Molecular FormulaC11H11Cl3O2
Molecular Weight281.57 g/mol
Exact Mass279.98
IUPAC Name1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol
SMILESOC(COc1c(Cl)cc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C11H11Cl3O2/c12-7-3-8(13)11(9(14)4-7)16-5-10(15)6-1-2-6/h3-4,6,10,15H,1-2,5H2
InChIKeyBSSSKTRPUPTDRJ-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 16642389
[(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium
CID 1409843
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
3,5-dichloro-2-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103158696
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol
CID 105103670
2-methyl-3-(2,4,6-trichlorophenoxy)propanethioamide
CID 43175363
1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol
CID 64515130
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
1-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]-3-ethoxypropan-2-ol
CID 63933960
2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237439
N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 63505531

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol?
The IUPAC name of 1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol (CID 63907675) is 1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol is OC(COc1c(Cl)cc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol?
The InChIKey is BSSSKTRPUPTDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O2/c12-7-3-8(13)11(9(14)4-7)16-5-10(15)6-1-2-6/h3-4,6,10,15H,1-2,5H2.
What are the key properties of 1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol?
1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol has a molecular weight of 281.57 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol is sourced from PubChem (CID 63907675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).