1-chloro-3-(2-methoxyethoxy)propan-2-ol

C6H13ClO3 — CID 4581090

IUPAC1-chloro-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CCl
InChIInChI=1S/C6H13ClO3/c1-9-2-3-10-5-6(8)4-7/h6,8H,2-5H2,1H3
InChIKeyLLBBRAPLQKXZDZ-UHFFFAOYSA-N
MW168.62 g/mol
LogP0.25
Rot. Bonds6

About 1-chloro-3-(2-methoxyethoxy)propan-2-ol

1-chloro-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 4581090) has the molecular formula C6H13ClO3 and a molecular weight of 168.62 g/mol. Its IUPAC name is 1-chloro-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2-methoxyethoxy)propan-2-ol
PubChem CID4581090
Molecular FormulaC6H13ClO3
Molecular Weight168.62 g/mol
Exact Mass168.06
IUPAC Name1-chloro-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CCl
InChIInChI=1S/C6H13ClO3/c1-9-2-3-10-5-6(8)4-7/h6,8H,2-5H2,1H3
InChIKeyLLBBRAPLQKXZDZ-UHFFFAOYSA-N
XLogP0.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol
CID 40610659
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
1-chloro-3-(3-methoxy-3-methylbutoxy)propan-2-ol
CID 106665499
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol
CID 174758586
1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
CID 104561148

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-chloro-3-(2-methoxyethoxy)propan-2-ol (CID 4581090) is 1-chloro-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CCl.
What is the InChIKey of 1-chloro-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is LLBBRAPLQKXZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO3/c1-9-2-3-10-5-6(8)4-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-chloro-3-(2-methoxyethoxy)propan-2-ol?
1-chloro-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 168.62 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 4581090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).