3-chloro-2-methoxypropane-1,2-diol

C4H9ClO3 — CID 91060134

IUPAC3-chloro-2-methoxypropane-1,2-diol
SMILESCOC(O)(CO)CCl
InChIInChI=1S/C4H9ClO3/c1-8-4(7,2-5)3-6/h6-7H,2-3H2,1H3
InChIKeyCBINFQIMGGKJHJ-UHFFFAOYSA-N
MW140.57 g/mol
LogP-0.45
Rot. Bonds3

About 3-chloro-2-methoxypropane-1,2-diol

3-chloro-2-methoxypropane-1,2-diol (PubChem CID 91060134) has the molecular formula C4H9ClO3 and a molecular weight of 140.57 g/mol. Its IUPAC name is 3-chloro-2-methoxypropane-1,2-diol.

Molecular Properties

Compound Name3-chloro-2-methoxypropane-1,2-diol
PubChem CID91060134
Molecular FormulaC4H9ClO3
Molecular Weight140.57 g/mol
Exact Mass140.02
IUPAC Name3-chloro-2-methoxypropane-1,2-diol
SMILESCOC(O)(CO)CCl
InChIInChI=1S/C4H9ClO3/c1-8-4(7,2-5)3-6/h6-7H,2-3H2,1H3
InChIKeyCBINFQIMGGKJHJ-UHFFFAOYSA-N
XLogP-0.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.57
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxybutane-1,2-diol
CID 88761953
(2S)-3-chloro-2-methylpropane-1,2-diol
CID 10866331
1,3-diamino-2-methoxypropan-2-ol
CID 163826611
dichloromethane;methanol;2-methoxy-2-methylpropane
CID 87545382
2,2,2-trimethoxyethanol;zirconium
CID 87320991
5-chloro-2,2-dimethoxypentan-1-ol
CID 174742115
2,2,2-trichloroethanol
CID 8259
2-amino-2-methoxypropane-1,3-diol
CID 6420021
1-chloro-2-methylpropan-2-ol;vanadium
CID 158704639
2-methoxy-3-(1-methyl-4-propan-2-ylcyclohexyl)oxypropane-1,2-diol
CID 150910528
2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
CID 156562872
2-tert-butyl-2-(chloromethyl)propane-1,3-diol
CID 164779221

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxypropane-1,2-diol?
The IUPAC name of 3-chloro-2-methoxypropane-1,2-diol (CID 91060134) is 3-chloro-2-methoxypropane-1,2-diol.
What is the SMILES notation for 3-chloro-2-methoxypropane-1,2-diol?
The canonical SMILES for 3-chloro-2-methoxypropane-1,2-diol is COC(O)(CO)CCl.
What is the InChIKey of 3-chloro-2-methoxypropane-1,2-diol?
The InChIKey is CBINFQIMGGKJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO3/c1-8-4(7,2-5)3-6/h6-7H,2-3H2,1H3.
What are the key properties of 3-chloro-2-methoxypropane-1,2-diol?
3-chloro-2-methoxypropane-1,2-diol has a molecular weight of 140.57 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxypropane-1,2-diol is sourced from PubChem (CID 91060134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).