[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone

C17H16O — CID 15420517

IUPAC[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone
SMILESC[C@@H]1c2ccccc2C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C17H16O/c1-12-15-10-6-5-9-14(15)11-16(12)17(18)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1
InChIKeyHDSBUUBDQQZPJL-MLGOLLRUSA-N
MW236.31 g/mol
LogP3.85
Rot. Bonds2

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

[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone (PubChem CID 15420517) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is [(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone
PubChem CID15420517
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone
SMILESC[C@@H]1c2ccccc2C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C17H16O/c1-12-15-10-6-5-9-14(15)11-16(12)17(18)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1
InChIKeyHDSBUUBDQQZPJL-MLGOLLRUSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 114986785
2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
(1S,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 744231
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-ethylphenyl)methanone
CID 64982409
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone
CID 101099857

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone?
The IUPAC name of [(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone (CID 15420517) is [(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone.
What is the SMILES notation for [(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone?
The canonical SMILES for [(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone is C[C@@H]1c2ccccc2C[C@H]1C(=O)c1ccccc1.
What is the InChIKey of [(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone?
The InChIKey is HDSBUUBDQQZPJL-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H16O/c1-12-15-10-6-5-9-14(15)11-16(12)17(18)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1.
What are the key properties of [(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone?
[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone has a molecular weight of 236.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone is sourced from PubChem (CID 15420517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).