(2R)-2-chloro-1-methoxypropane

C4H9ClO — CID 94475219

IUPAC(2R)-2-chloro-1-methoxypropane
SMILESCOC[C@@H](C)Cl
InChIInChI=1S/C4H9ClO/c1-4(5)3-6-2/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeySIBFNWWZWOVJJH-SCSAIBSYSA-N
MW108.57 g/mol
LogP1.26
Rot. Bonds2

About (2R)-2-chloro-1-methoxypropane

(2R)-2-chloro-1-methoxypropane (PubChem CID 94475219) has the molecular formula C4H9ClO and a molecular weight of 108.57 g/mol. Its IUPAC name is (2R)-2-chloro-1-methoxypropane.

Molecular Properties

Compound Name(2R)-2-chloro-1-methoxypropane
PubChem CID94475219
Molecular FormulaC4H9ClO
Molecular Weight108.57 g/mol
Exact Mass108.03
IUPAC Name(2R)-2-chloro-1-methoxypropane
SMILESCOC[C@@H](C)Cl
InChIInChI=1S/C4H9ClO/c1-4(5)3-6-2/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeySIBFNWWZWOVJJH-SCSAIBSYSA-N
XLogP1.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.57
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2-chloroethoxy)propane
CID 3392808
5-chloro-1-methoxy-2,3,3-trimethylhexane
CID 64717465
carbonic acid;3-chloro-1-methoxybutane
CID 86749865
1-chloro-4-methoxy-3-(methoxymethyl)-2-methylbutane
CID 165442887
tris[(2R)-2-chloropropyl] phosphate
CID 91865019
2-(chloromethoxy)-1-methoxypropane
CID 79529090
N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine
CID 65023756
1-methoxypropan-2-ol chloride
CID 23303898
1,2-dimethoxypropane;ytterbium
CID 175853617
potassium 1-methoxypropan-2-olate
CID 142707794
1,2-dimethoxypropane;thulium
CID 175866702
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-methoxypropane?
The IUPAC name of (2R)-2-chloro-1-methoxypropane (CID 94475219) is (2R)-2-chloro-1-methoxypropane.
What is the SMILES notation for (2R)-2-chloro-1-methoxypropane?
The canonical SMILES for (2R)-2-chloro-1-methoxypropane is COC[C@@H](C)Cl.
What is the InChIKey of (2R)-2-chloro-1-methoxypropane?
The InChIKey is SIBFNWWZWOVJJH-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9ClO/c1-4(5)3-6-2/h4H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-2-chloro-1-methoxypropane?
(2R)-2-chloro-1-methoxypropane has a molecular weight of 108.57 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-methoxypropane is sourced from PubChem (CID 94475219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).