(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one

C19H16O2 — CID 910021

IUPAC(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2C[C@H]1C[C@@H]1Cc2ccccc2C1=O
InChIInChI=1S/C19H16O2/c20-18-14(9-12-5-1-3-7-16(12)18)11-15-10-13-6-2-4-8-17(13)19(15)21/h1-8,14-15H,9-11H2/t14-,15-/m0/s1
InChIKeySYZQEYVONZGBSK-GJZGRUSLSA-N
MW276.34 g/mol
LogP3.49
Rot. Bonds2

About (2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one

(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one (PubChem CID 910021) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
PubChem CID910021
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2C[C@H]1C[C@@H]1Cc2ccccc2C1=O
InChIInChI=1S/C19H16O2/c20-18-14(9-12-5-1-3-7-16(12)18)11-15-10-13-6-2-4-8-17(13)19(15)21/h1-8,14-15H,9-11H2/t14-,15-/m0/s1
InChIKeySYZQEYVONZGBSK-GJZGRUSLSA-N
XLogP3.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one with MolForge

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Related Compounds

2-(2-fluoroethyl)-2,3-dihydroinden-1-one
CID 80695760
2-(oxan-4-ylmethyl)-2,3-dihydroinden-1-one
CID 55066215
2-(methoxymethyl)-2,3-dihydroinden-1-one
CID 71409050
2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one
CID 79428633
(2S)-2-but-2-enyl-2,3-dihydroinden-1-one
CID 67713890
2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544000
2-(5-aminopentyl)-2,3-dihydroinden-1-one
CID 23389014
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544001
(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one
CID 129365333
2-(2,2-difluoro-2-phenylethyl)-2,3-dihydroinden-1-one
CID 116789883
2-[(4-tert-butylphenyl)methyl]-2,3-dihydroinden-1-one
CID 63399290
2-(2-methyl-2-nitropropyl)-2,3-dihydroinden-1-one
CID 12733660

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one?
The IUPAC name of (2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one (CID 910021) is (2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for (2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one is O=C1c2ccccc2C[C@H]1C[C@@H]1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one?
The InChIKey is SYZQEYVONZGBSK-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H16O2/c20-18-14(9-12-5-1-3-7-16(12)18)11-15-10-13-6-2-4-8-17(13)19(15)21/h1-8,14-15H,9-11H2/t14-,15-/m0/s1.
What are the key properties of (2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one?
(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 276.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 910021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).