[(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate

C13H14O4 — CID 6427234

IUPAC[(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCC(=O)O[C@H]1Cc2ccccc2[C@H]1OC(C)=O
InChIInChI=1S/C13H14O4/c1-8(14)16-12-7-10-5-3-4-6-11(10)13(12)17-9(2)15/h3-6,12-13H,7H2,1-2H3/t12-,13+/m0/s1
InChIKeyZSAGZMJOVRIXMF-QWHCGFSZSA-N
MW234.25 g/mol
LogP1.78
Rot. Bonds2

About [(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate

[(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate (PubChem CID 6427234) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is [(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate.

Molecular Properties

Compound Name[(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate
PubChem CID6427234
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name[(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCC(=O)O[C@H]1Cc2ccccc2[C@H]1OC(C)=O
InChIInChI=1S/C13H14O4/c1-8(14)16-12-7-10-5-3-4-6-11(10)13(12)17-9(2)15/h3-6,12-13H,7H2,1-2H3/t12-,13+/m0/s1
InChIKeyZSAGZMJOVRIXMF-QWHCGFSZSA-N
XLogP1.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Ethanediol, 1-phenyl-, 1,2-diacetate
CID 95008
Methoxyindane
CID 70506
2,3-Dihydro-1-methoxy-1H-inden-2-ol
CID 143339
1-Indanyl acetate
CID 233153
5H-Benzocycloheptene-5,6-diol, 6,7,8,9-tetrahydro-, diacetate, trans-
CID 24834891
9-Fluorenyl methacrylate
CID 22236819
2-(2,3-Dihydro-1H-inden-1-yloxy)acetic acid
CID 179972
1,2-Dimethoxy-2,3-dihydro-1h-indene
CID 279766
2,3-Dihydro-1H-inden-2-yl acetate
CID 575759
(R)-1-phenylethane-1,2-diyl diacetate
CID 12571394
methyl (3Z)-3-(3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene)propanoate
CID 16759097
9-Fluorenyl acetate
CID 141166

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate?
The IUPAC name of [(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate (CID 6427234) is [(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate.
What is the SMILES notation for [(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate?
The canonical SMILES for [(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate is CC(=O)O[C@H]1Cc2ccccc2[C@H]1OC(C)=O.
What is the InChIKey of [(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate?
The InChIKey is ZSAGZMJOVRIXMF-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H14O4/c1-8(14)16-12-7-10-5-3-4-6-11(10)13(12)17-9(2)15/h3-6,12-13H,7H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of [(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate?
[(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate has a molecular weight of 234.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate is sourced from PubChem (CID 6427234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).