[(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate

C12H14Cl2O3 — CID 118683201

IUPAC[(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate
SMILESCO[C@@H](c1cccc(Cl)c1Cl)[C@H](C)OC(C)=O
InChIInChI=1S/C12H14Cl2O3/c1-7(17-8(2)15)12(16-3)9-5-4-6-10(13)11(9)14/h4-7,12H,1-3H3/t7-,12+/m0/s1
InChIKeyKPFRPFUBMDKLTR-JVXZTZIISA-N
MW277.15 g/mol
LogP3.63
Rot. Bonds4

About [(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate

[(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate (PubChem CID 118683201) has the molecular formula C12H14Cl2O3 and a molecular weight of 277.15 g/mol. Its IUPAC name is [(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate.

Molecular Properties

Compound Name[(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate
PubChem CID118683201
Molecular FormulaC12H14Cl2O3
Molecular Weight277.15 g/mol
Exact Mass276.03
IUPAC Name[(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate
SMILESCO[C@@H](c1cccc(Cl)c1Cl)[C@H](C)OC(C)=O
InChIInChI=1S/C12H14Cl2O3/c1-7(17-8(2)15)12(16-3)9-5-4-6-10(13)11(9)14/h4-7,12H,1-3H3/t7-,12+/m0/s1
InChIKeyKPFRPFUBMDKLTR-JVXZTZIISA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate
CID 144705888
[(1S,2S)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] 3-methylbutanoate
CID 157293232
3-bromo-4-(2,3-dichlorophenyl)pentan-2-one
CID 64719825
methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770432
[(1R,2S)-1-acetyloxy-1-(3,5-dichloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(113C)propan-2-yl] acetate
CID 101137826
[(1S,2R)-1-acetyloxy-1-(3,5-dichloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(113C)propan-2-yl] acetate
CID 101137825
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616818
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254
2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid
CID 103914711
2-(2,3-dichlorophenyl)-2-methoxyethanamine
CID 66071961

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate?
The IUPAC name of [(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate (CID 118683201) is [(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate.
What is the SMILES notation for [(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate?
The canonical SMILES for [(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate is CO[C@@H](c1cccc(Cl)c1Cl)[C@H](C)OC(C)=O.
What is the InChIKey of [(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate?
The InChIKey is KPFRPFUBMDKLTR-JVXZTZIISA-N. The full InChI is InChI=1S/C12H14Cl2O3/c1-7(17-8(2)15)12(16-3)9-5-4-6-10(13)11(9)14/h4-7,12H,1-3H3/t7-,12+/m0/s1.
What are the key properties of [(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate?
[(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate has a molecular weight of 277.15 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate is sourced from PubChem (CID 118683201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).