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

C18H18O — CID 101099857

IUPAC2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone
SMILESC[C@H]1Cc2ccccc2[C@H]1CC(=O)c1ccccc1
InChIInChI=1S/C18H18O/c1-13-11-15-9-5-6-10-16(15)17(13)12-18(19)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3/t13-,17-/m0/s1
InChIKeyJMLUUSHJVAGAGZ-GUYCJALGSA-N
MW250.34 g/mol
LogP4.24
Rot. Bonds3

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

2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone (PubChem CID 101099857) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone
PubChem CID101099857
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone
SMILESC[C@H]1Cc2ccccc2[C@H]1CC(=O)c1ccccc1
InChIInChI=1S/C18H18O/c1-13-11-15-9-5-6-10-16(15)17(13)12-18(19)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3/t13-,17-/m0/s1
InChIKeyJMLUUSHJVAGAGZ-GUYCJALGSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate
CID 102418918
ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol
CID 142999040
[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone
CID 15420517
2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
CID 10921866
1-(3,4-dimethylpyrrolidin-1-yl)-3-phenylpropane-1,3-dione
CID 538629
3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide
CID 110025348
tert-butyl (1R,2R,3R)-2-methyl-3-phenacylcyclopropane-1-carboxylate
CID 101156161
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012
2-methyl-N-phenacylcyclopropane-1-carboxamide
CID 64991605
(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 101384659
2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
CID 59710006
N,2,2-trimethyl-3-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]propanamide
CID 99777424

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone?
The IUPAC name of 2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone (CID 101099857) is 2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone is C[C@H]1Cc2ccccc2[C@H]1CC(=O)c1ccccc1.
What is the InChIKey of 2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone?
The InChIKey is JMLUUSHJVAGAGZ-GUYCJALGSA-N. The full InChI is InChI=1S/C18H18O/c1-13-11-15-9-5-6-10-16(15)17(13)12-18(19)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3/t13-,17-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone?
2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone has a molecular weight of 250.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone is sourced from PubChem (CID 101099857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).