3-(3,4-dichlorophenoxy)propane-1,2-diol

C9H10Cl2O3 — CID 78931944

IUPAC3-(3,4-dichlorophenoxy)propane-1,2-diol
SMILESOCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O3/c10-8-2-1-7(3-9(8)11)14-5-6(13)4-12/h1-3,6,12-13H,4-5H2
InChIKeyZWAWJGMVHJXJGI-UHFFFAOYSA-N
MW237.08 g/mol
LogP1.73
Rot. Bonds4

About 3-(3,4-dichlorophenoxy)propane-1,2-diol

3-(3,4-dichlorophenoxy)propane-1,2-diol (PubChem CID 78931944) has the molecular formula C9H10Cl2O3 and a molecular weight of 237.08 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)propane-1,2-diol
PubChem CID78931944
Molecular FormulaC9H10Cl2O3
Molecular Weight237.08 g/mol
Exact Mass236.00
IUPAC Name3-(3,4-dichlorophenoxy)propane-1,2-diol
SMILESOCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O3/c10-8-2-1-7(3-9(8)11)14-5-6(13)4-12/h1-3,6,12-13H,4-5H2
InChIKeyZWAWJGMVHJXJGI-UHFFFAOYSA-N
XLogP1.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160479
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174321
1-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]butan-1-one
CID 154112180
1-(3,4-dichlorophenoxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 82715506
1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713365
1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
CID 62275385
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide
CID 60900938
4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146498
1-(3,4-dichlorophenoxy)-3-(4-propan-2-ylanilino)propan-2-ol
CID 2725828
1-(3,4-dichlorophenoxy)-3-[(2,2-dimethylcyclopropyl)amino]propan-2-ol
CID 61223730
1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721381
[3-(3,4-dichlorophenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 70628472

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)propane-1,2-diol?
The IUPAC name of 3-(3,4-dichlorophenoxy)propane-1,2-diol (CID 78931944) is 3-(3,4-dichlorophenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)propane-1,2-diol?
The canonical SMILES for 3-(3,4-dichlorophenoxy)propane-1,2-diol is OCC(O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenoxy)propane-1,2-diol?
The InChIKey is ZWAWJGMVHJXJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O3/c10-8-2-1-7(3-9(8)11)14-5-6(13)4-12/h1-3,6,12-13H,4-5H2.
What are the key properties of 3-(3,4-dichlorophenoxy)propane-1,2-diol?
3-(3,4-dichlorophenoxy)propane-1,2-diol has a molecular weight of 237.08 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenoxy)propane-1,2-diol is sourced from PubChem (CID 78931944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).