[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate

C16H21ClO4 — CID 149458940

IUPAC[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate
SMILESCOCO[C@H](c1ccccc1Cl)[C@@H](C)OC(=O)CC1CC1
InChIInChI=1S/C16H21ClO4/c1-11(21-15(18)9-12-7-8-12)16(20-10-19-2)13-5-3-4-6-14(13)17/h3-6,11-12,16H,7-10H2,1-2H3/t11-,16+/m1/s1
InChIKeyYZCZJTMLHGLLRO-BZNIZROVSA-N
MW312.79 g/mol
LogP3.73
Rot. Bonds8

About [(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate

[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate (PubChem CID 149458940) has the molecular formula C16H21ClO4 and a molecular weight of 312.79 g/mol. Its IUPAC name is [(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate.

Molecular Properties

Compound Name[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate
PubChem CID149458940
Molecular FormulaC16H21ClO4
Molecular Weight312.79 g/mol
Exact Mass312.11
IUPAC Name[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate
SMILESCOCO[C@H](c1ccccc1Cl)[C@@H](C)OC(=O)CC1CC1
InChIInChI=1S/C16H21ClO4/c1-11(21-15(18)9-12-7-8-12)16(20-10-19-2)13-5-3-4-6-14(13)17/h3-6,11-12,16H,7-10H2,1-2H3/t11-,16+/m1/s1
InChIKeyYZCZJTMLHGLLRO-BZNIZROVSA-N
XLogP3.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S)-1-(2-iodophenyl)-1-(methoxymethoxy)-3-methylbutan-2-yl] 2-cyclopropylacetate
CID 158379095
1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine
CID 90433394
(2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 147232320
(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 137375754
[(1S,2S)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] 3-methylbutanoate
CID 157293232
[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] 3-methylbutanoate
CID 158510765
[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate
CID 123225281
[3-(2-chlorophenyl)-3-(methoxymethoxy)-2-methylpropyl] N-propan-2-ylcarbamate
CID 123237058
[(1S,2S)-1-(2-iodophenyl)-1-(methoxymethoxy)propan-2-yl] pentanoate
CID 159564747
[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
CID 123827568
ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate
CID 110891469
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
CID 123526733

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate?
The IUPAC name of [(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate (CID 149458940) is [(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate.
What is the SMILES notation for [(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate?
The canonical SMILES for [(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate is COCO[C@H](c1ccccc1Cl)[C@@H](C)OC(=O)CC1CC1.
What is the InChIKey of [(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate?
The InChIKey is YZCZJTMLHGLLRO-BZNIZROVSA-N. The full InChI is InChI=1S/C16H21ClO4/c1-11(21-15(18)9-12-7-8-12)16(20-10-19-2)13-5-3-4-6-14(13)17/h3-6,11-12,16H,7-10H2,1-2H3/t11-,16+/m1/s1.
What are the key properties of [(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate?
[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate has a molecular weight of 312.79 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate is sourced from PubChem (CID 149458940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).