2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole

C18H19NO — CID 141180935

IUPAC2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole
SMILESCO[C@@H]1Cc2ccccc2[C@H]1N1Cc2ccccc2C1
InChIInChI=1S/C18H19NO/c1-20-17-10-13-6-4-5-9-16(13)18(17)19-11-14-7-2-3-8-15(14)12-19/h2-9,17-18H,10-12H2,1H3/t17-,18-/m1/s1
InChIKeyVDAKTHVEKBWOGJ-QZTJIDSGSA-N
MW265.36 g/mol
LogP3.31
Rot. Bonds2

About 2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole

2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole (PubChem CID 141180935) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole
PubChem CID141180935
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole
SMILESCO[C@@H]1Cc2ccccc2[C@H]1N1Cc2ccccc2C1
InChIInChI=1S/C18H19NO/c1-20-17-10-13-6-4-5-9-16(13)18(17)19-11-14-7-2-3-8-15(14)12-19/h2-9,17-18H,10-12H2,1H3/t17-,18-/m1/s1
InChIKeyVDAKTHVEKBWOGJ-QZTJIDSGSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
CID 168865064
(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
CID 23270875
1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 141163382
(1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-yl) methanesulfonate
CID 15611135
(1R)-2-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 166823758
tert-butyl 1-methoxy-1,3-dihydroisoindole-2-carboxylate
CID 56849682
1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole
CID 175719174
1-[2-[(3,5-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine;dihydrochloride
CID 68927068
(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 14126785
(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene
CID 71027765
[1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate
CID 139247553
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole?
The IUPAC name of 2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole (CID 141180935) is 2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole is CO[C@@H]1Cc2ccccc2[C@H]1N1Cc2ccccc2C1.
What is the InChIKey of 2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole?
The InChIKey is VDAKTHVEKBWOGJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H19NO/c1-20-17-10-13-6-4-5-9-16(13)18(17)19-11-14-7-2-3-8-15(14)12-19/h2-9,17-18H,10-12H2,1H3/t17-,18-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole?
2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole has a molecular weight of 265.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole is sourced from PubChem (CID 141180935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).