1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol

C44H57NO6 — CID 158186440

IUPAC1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCC1CCN(C)c2ccccc21.CC1c2ccccc2OC[C@@H]1O.CC1c2ccccc2OC[C@H]1O.COc1ccc2c(c1)C(C)CC(C)(C)O2
InChIInChI=1S/C13H18O2.C11H15N.2C10H12O2/c1-9-8-13(2,3)15-12-6-5-10(14-4)7-11(9)12;1-9-7-8-12(2)11-6-4-3-5-10(9)11;2*1-7-8-4-2-3-5-10(8)12-6-9(7)11/h5-7,9H,8H2,1-4H3;3-6,9H,7-8H2,1-2H3;2*2-5,7,9,11H,6H2,1H3/t;;2*7?,9-/m..10/s1
InChIKeyFZESVVPMXJKYMD-UNJQMBELSA-N
MW695.94 g/mol
LogP9.08
Rot. Bonds1

About 1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol

1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 158186440) has the molecular formula C44H57NO6 and a molecular weight of 695.94 g/mol. Its IUPAC name is 1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol
PubChem CID158186440
Molecular FormulaC44H57NO6
Molecular Weight695.94 g/mol
Exact Mass695.42
IUPAC Name1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCC1CCN(C)c2ccccc21.CC1c2ccccc2OC[C@@H]1O.CC1c2ccccc2OC[C@H]1O.COc1ccc2c(c1)C(C)CC(C)(C)O2
InChIInChI=1S/C13H18O2.C11H15N.2C10H12O2/c1-9-8-13(2,3)15-12-6-5-10(14-4)7-11(9)12;1-9-7-8-12(2)11-6-4-3-5-10(9)11;2*1-7-8-4-2-3-5-10(8)12-6-9(7)11/h5-7,9H,8H2,1-4H3;3-6,9H,7-8H2,1-2H3;2*2-5,7,9,11H,6H2,1H3/t;;2*7?,9-/m..10/s1
InChIKeyFZESVVPMXJKYMD-UNJQMBELSA-N
XLogP9.08
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.94
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol (CID 158186440) is 1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol is CC1CCN(C)c2ccccc21.CC1c2ccccc2OC[C@@H]1O.CC1c2ccccc2OC[C@H]1O.COc1ccc2c(c1)C(C)CC(C)(C)O2.
What is the InChIKey of 1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is FZESVVPMXJKYMD-UNJQMBELSA-N. The full InChI is InChI=1S/C13H18O2.C11H15N.2C10H12O2/c1-9-8-13(2,3)15-12-6-5-10(14-4)7-11(9)12;1-9-7-8-12(2)11-6-4-3-5-10(9)11;2*1-7-8-4-2-3-5-10(8)12-6-9(7)11/h5-7,9H,8H2,1-4H3;3-6,9H,7-8H2,1-2H3;2*2-5,7,9,11H,6H2,1H3/t;;2*7?,9-/m..10/s1.
What are the key properties of 1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol?
1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 695.94 g/mol, XLogP of 9.08, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,4-dihydro-2H-quinoline;6-methoxy-2,2,4-trimethyl-3,4-dihydrochromene;(3R)-4-methyl-3,4-dihydro-2H-chromen-3-ol;(3S)-4-methyl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 158186440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).