(1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate

C9H9Cl2O2- — CID 144705772

IUPAC(1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate
SMILESC[C@@H](O)[C@H]([O-])c1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2O2/c1-5(12)9(13)8-6(10)3-2-4-7(8)11/h2-5,9,12H,1H3/q-1/t5-,9+/m1/s1
InChIKeyDINBLFLHSFEZFG-ANLVUFKYSA-N
MW220.07 g/mol
LogP1.78
Rot. Bonds2

About (1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate

(1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate (PubChem CID 144705772) has the molecular formula C9H9Cl2O2- and a molecular weight of 220.07 g/mol. Its IUPAC name is (1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate.

Molecular Properties

Compound Name(1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate
PubChem CID144705772
Molecular FormulaC9H9Cl2O2-
Molecular Weight220.07 g/mol
Exact Mass219.00
IUPAC Name(1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate
SMILESC[C@@H](O)[C@H]([O-])c1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2O2/c1-5(12)9(13)8-6(10)3-2-4-7(8)11/h2-5,9,12H,1H3/q-1/t5-,9+/m1/s1
InChIKeyDINBLFLHSFEZFG-ANLVUFKYSA-N
XLogP1.78
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
1-chloro-3-methyl-2-propan-2-ylbenzene
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1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
CID 55270715
1-(2,6-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150451
1-chloro-3-hydroperoxy-2-propan-2-ylbenzene
CID 167440370
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
CID 130692242
1-(2,6-dichlorophenyl)-3-sulfanylpropane-1,2-diol
CID 170819441
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
CID 169127619
(1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol
CID 90430903
(2,6-dichlorophenyl)-ethoxymethanol
CID 22954642
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate?
The IUPAC name of (1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate (CID 144705772) is (1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate.
What is the SMILES notation for (1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate?
The canonical SMILES for (1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate is C[C@@H](O)[C@H]([O-])c1c(Cl)cccc1Cl.
What is the InChIKey of (1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate?
The InChIKey is DINBLFLHSFEZFG-ANLVUFKYSA-N. The full InChI is InChI=1S/C9H9Cl2O2/c1-5(12)9(13)8-6(10)3-2-4-7(8)11/h2-5,9,12H,1H3/q-1/t5-,9+/m1/s1.
What are the key properties of (1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate?
(1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate has a molecular weight of 220.07 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate is sourced from PubChem (CID 144705772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).