ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol

C13H20O — CID 142999040

IUPACethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol
SMILESCC.CC1Cc2ccccc2[C@H]1CO
InChIInChI=1S/C11H14O.C2H6/c1-8-6-9-4-2-3-5-10(9)11(8)7-12;1-2/h2-5,8,11-12H,6-7H2,1H3;1-2H3/t8?,11-;/m0./s1
InChIKeyVWWMUMRVSKEVOT-YCFJOMISSA-N
MW192.30 g/mol
LogP2.98
Rot. Bonds1

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

ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol (PubChem CID 142999040) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol.

Molecular Properties

Compound Nameethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol
PubChem CID142999040
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol
SMILESCC.CC1Cc2ccccc2[C@H]1CO
InChIInChI=1S/C11H14O.C2H6/c1-8-6-9-4-2-3-5-10(9)11(8)7-12;1-2/h2-5,8,11-12H,6-7H2,1H3;1-2H3/t8?,11-;/m0./s1
InChIKeyVWWMUMRVSKEVOT-YCFJOMISSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone
CID 101099857
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012
tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 59684529
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
2,3-dihydro-1H-inden-2-ylmethanol;ethane
CID 91145840
(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 6429796
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
1-isothiocyanato-2-methyl-2,3-dihydro-1H-indene
CID 87711525

Frequently Asked Questions

What is the IUPAC name of ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol?
The IUPAC name of ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol (CID 142999040) is ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol.
What is the SMILES notation for ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol?
The canonical SMILES for ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol is CC.CC1Cc2ccccc2[C@H]1CO.
What is the InChIKey of ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol?
The InChIKey is VWWMUMRVSKEVOT-YCFJOMISSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-8-6-9-4-2-3-5-10(9)11(8)7-12;1-2/h2-5,8,11-12H,6-7H2,1H3;1-2H3/t8?,11-;/m0./s1.
What are the key properties of ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol?
ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol has a molecular weight of 192.30 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol is sourced from PubChem (CID 142999040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).