1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol

C7H14Cl2O3 — CID 71441962

IUPAC1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol
SMILESCOCC(CCl)OCC(O)CCl
InChIInChI=1S/C7H14Cl2O3/c1-11-5-7(3-9)12-4-6(10)2-8/h6-7,10H,2-5H2,1H3
InChIKeyNRIPLZVVVWQTHL-UHFFFAOYSA-N
MW217.09 g/mol
LogP0.86
Rot. Bonds7

About 1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol

1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol (PubChem CID 71441962) has the molecular formula C7H14Cl2O3 and a molecular weight of 217.09 g/mol. Its IUPAC name is 1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol
PubChem CID71441962
Molecular FormulaC7H14Cl2O3
Molecular Weight217.09 g/mol
Exact Mass216.03
IUPAC Name1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol
SMILESCOCC(CCl)OCC(O)CCl
InChIInChI=1S/C7H14Cl2O3/c1-11-5-7(3-9)12-4-6(10)2-8/h6-7,10H,2-5H2,1H3
InChIKeyNRIPLZVVVWQTHL-UHFFFAOYSA-N
XLogP0.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol
CID 90003830
1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol
CID 71445138
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
3-[1-[2,3-bis[3-chloro-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-chloropropan-2-yl]oxypropane-1,2-diol
CID 54196673
1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane
CID 57109764
3-(1-chloro-3-octoxypropan-2-yl)oxypropane-1,2-diol
CID 86111870
1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol
CID 112560865
2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol
CID 171403130
[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate
CID 141068739
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
1-chloro-3-methoxyphosphanyloxypropan-2-ol
CID 88908247
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol?
The IUPAC name of 1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol (CID 71441962) is 1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol.
What is the SMILES notation for 1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol?
The canonical SMILES for 1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol is COCC(CCl)OCC(O)CCl.
What is the InChIKey of 1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol?
The InChIKey is NRIPLZVVVWQTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2O3/c1-11-5-7(3-9)12-4-6(10)2-8/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol?
1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol has a molecular weight of 217.09 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol is sourced from PubChem (CID 71441962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).