1-methoxypropan-2-ol chloride

C4H10ClO2- — CID 23303898

IUPAC1-methoxypropan-2-ol chloride
SMILESCOCC(C)O.[Cl-]
InChIInChI=1S/C4H10O2.ClH/c1-4(5)3-6-2;/h4-5H,3H2,1-2H3;1H/p-1
InChIKeyMMHWFKUQERZGQQ-UHFFFAOYSA-M
MW125.57 g/mol
LogP-2.98
Rot. Bonds2

About 1-methoxypropan-2-ol chloride

1-methoxypropan-2-ol chloride (PubChem CID 23303898) has the molecular formula C4H10ClO2- and a molecular weight of 125.57 g/mol. Its IUPAC name is 1-methoxypropan-2-ol chloride.

Molecular Properties

Compound Name1-methoxypropan-2-ol chloride
PubChem CID23303898
Molecular FormulaC4H10ClO2-
Molecular Weight125.57 g/mol
Exact Mass125.04
IUPAC Name1-methoxypropan-2-ol chloride
SMILESCOCC(C)O.[Cl-]
InChIInChI=1S/C4H10O2.ClH/c1-4(5)3-6-2;/h4-5H,3H2,1-2H3;1H/p-1
InChIKeyMMHWFKUQERZGQQ-UHFFFAOYSA-M
XLogP-2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.57
LogP ≤ 5-2.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxypropan-2-ol;propane
CID 159966080
methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol
CID 175057633
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
hexan-1-ol;1-methoxypropan-2-ol
CID 87087697
cyclopentanone;1-methoxypropan-2-ol
CID 141468485
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1,2-dimethoxyethane;propane-1,2-diol
CID 87359366
2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol
CID 172753622
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
2-hydroxypropyl tris(2-methoxyethyl) silicate
CID 123776315
1-[2-(1-methoxypropan-2-yloxy)ethoxy]propan-2-ol
CID 18709988
hexakis(2-hydroxypropyl methyl carbonate);methane;hexakis(yttrium)
CID 157481977

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-ol chloride?
The IUPAC name of 1-methoxypropan-2-ol chloride (CID 23303898) is 1-methoxypropan-2-ol chloride.
What is the SMILES notation for 1-methoxypropan-2-ol chloride?
The canonical SMILES for 1-methoxypropan-2-ol chloride is COCC(C)O.[Cl-].
What is the InChIKey of 1-methoxypropan-2-ol chloride?
The InChIKey is MMHWFKUQERZGQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O2.ClH/c1-4(5)3-6-2;/h4-5H,3H2,1-2H3;1H/p-1.
What are the key properties of 1-methoxypropan-2-ol chloride?
1-methoxypropan-2-ol chloride has a molecular weight of 125.57 g/mol, XLogP of -2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-ol chloride is sourced from PubChem (CID 23303898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).