1-(2,6-dichlorophenoxy)propan-2-ol

C9H10Cl2O2 — CID 65277723

IUPAC1-(2,6-dichlorophenoxy)propan-2-ol
SMILESCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2O2/c1-6(12)5-13-9-7(10)3-2-4-8(9)11/h2-4,6,12H,5H2,1H3
InChIKeyYGOOVMAUNLHQBO-UHFFFAOYSA-N
MW221.08 g/mol
LogP2.75
Rot. Bonds3

About 1-(2,6-dichlorophenoxy)propan-2-ol

1-(2,6-dichlorophenoxy)propan-2-ol (PubChem CID 65277723) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)propan-2-ol
PubChem CID65277723
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name1-(2,6-dichlorophenoxy)propan-2-ol
SMILESCC(O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2O2/c1-6(12)5-13-9-7(10)3-2-4-8(9)11/h2-4,6,12H,5H2,1H3
InChIKeyYGOOVMAUNLHQBO-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
CID 112610429
1-(2,6-dichloro-4-methylphenoxy)propan-2-ol
CID 90679727
1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107927
1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine
CID 154158720
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene
CID 66224051
1-(2,6-dichlorophenoxy)propan-2-ylhydrazine
CID 82291003
2-[2-(bromomethyl)-3-methylbutoxy]-1,3-dichlorobenzene
CID 65011768
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol
CID 62334662
1,3-dichloro-2-(2,2-diethoxyethoxy)benzene
CID 2781949
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79249781
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenoxy)propan-2-ol (CID 65277723) is 1-(2,6-dichlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenoxy)propan-2-ol is CC(O)COc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenoxy)propan-2-ol?
The InChIKey is YGOOVMAUNLHQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-6(12)5-13-9-7(10)3-2-4-8(9)11/h2-4,6,12H,5H2,1H3.
What are the key properties of 1-(2,6-dichlorophenoxy)propan-2-ol?
1-(2,6-dichlorophenoxy)propan-2-ol has a molecular weight of 221.08 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenoxy)propan-2-ol is sourced from PubChem (CID 65277723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).