(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol

C11H15ClO3 — CID 137375754

IUPAC(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
SMILESCOCO[C@@H](c1ccccc1Cl)[C@H](C)O
InChIInChI=1S/C11H15ClO3/c1-8(13)11(15-7-14-2)9-5-3-4-6-10(9)12/h3-6,8,11,13H,7H2,1-2H3/t8-,11+/m0/s1
InChIKeyCJDRXGVOMGDLHU-GZMMTYOYSA-N
MW230.69 g/mol
LogP2.38
Rot. Bonds5

About (1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol

(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol (PubChem CID 137375754) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is (1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
PubChem CID137375754
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
SMILESCOCO[C@@H](c1ccccc1Cl)[C@H](C)O
InChIInChI=1S/C11H15ClO3/c1-8(13)11(15-7-14-2)9-5-3-4-6-10(9)12/h3-6,8,11,13H,7H2,1-2H3/t8-,11+/m0/s1
InChIKeyCJDRXGVOMGDLHU-GZMMTYOYSA-N
XLogP2.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 147232320
1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine
CID 90433394
[3-(2-chlorophenyl)-3-(methoxymethoxy)-2-methylpropyl] N-propan-2-ylcarbamate
CID 123237058
[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate
CID 149458940
1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol
CID 137375637
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
CID 56596269
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol
CID 163943329

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol?
The IUPAC name of (1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol (CID 137375754) is (1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol?
The canonical SMILES for (1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol is COCO[C@@H](c1ccccc1Cl)[C@H](C)O.
What is the InChIKey of (1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol?
The InChIKey is CJDRXGVOMGDLHU-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-8(13)11(15-7-14-2)9-5-3-4-6-10(9)12/h3-6,8,11,13H,7H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of (1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol?
(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol has a molecular weight of 230.69 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol is sourced from PubChem (CID 137375754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).