dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane

C12H18NO2P — CID 135045363

IUPACdimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane
SMILESCOP(OC)N1c2ccccc2CC[C@H]1C
InChIInChI=1S/C12H18NO2P/c1-10-8-9-11-6-4-5-7-12(11)13(10)16(14-2)15-3/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyUMMZSYNYAUNIOP-SNVBAGLBSA-N
MW239.25 g/mol
LogP3.35
Rot. Bonds3

About dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane

dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane (PubChem CID 135045363) has the molecular formula C12H18NO2P and a molecular weight of 239.25 g/mol. Its IUPAC name is dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane.

Molecular Properties

Compound Namedimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane
PubChem CID135045363
Molecular FormulaC12H18NO2P
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Namedimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane
SMILESCOP(OC)N1c2ccccc2CC[C@H]1C
InChIInChI=1S/C12H18NO2P/c1-10-8-9-11-6-4-5-7-12(11)13(10)16(14-2)15-3/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyUMMZSYNYAUNIOP-SNVBAGLBSA-N
XLogP3.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane?
The IUPAC name of dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane (CID 135045363) is dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane.
What is the SMILES notation for dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane?
The canonical SMILES for dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane is COP(OC)N1c2ccccc2CC[C@H]1C.
What is the InChIKey of dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane?
The InChIKey is UMMZSYNYAUNIOP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18NO2P/c1-10-8-9-11-6-4-5-7-12(11)13(10)16(14-2)15-3/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane?
dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane has a molecular weight of 239.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]phosphane is sourced from PubChem (CID 135045363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).