(1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol

C17H19NO — CID 16681083

IUPAC(1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc([C@H](O)C[C@@H]2NCc3ccccc32)cc1
InChIInChI=1S/C17H19NO/c1-12-6-8-13(9-7-12)17(19)10-16-15-5-3-2-4-14(15)11-18-16/h2-9,16-19H,10-11H2,1H3/t16-,17+/m0/s1
InChIKeyOBEIVKIGVBUCAI-DLBZAZTESA-N
MW253.35 g/mol
LogP3.26
Rot. Bonds3

About (1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol

(1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol (PubChem CID 16681083) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol
PubChem CID16681083
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc([C@H](O)C[C@@H]2NCc3ccccc32)cc1
InChIInChI=1S/C17H19NO/c1-12-6-8-13(9-7-12)17(19)10-16-15-5-3-2-4-14(15)11-18-16/h2-9,16-19H,10-11H2,1H3/t16-,17+/m0/s1
InChIKeyOBEIVKIGVBUCAI-DLBZAZTESA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Butidrine
CID 15177
2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6459920
1-Phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
CID 6464095
(1-Methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol
CID 15628573
N-methyl-1,2-diphenylethanolamine
CID 99708
(2R,3R,4S)-2-[[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]methyl]pyrrolidine-3,4-diol
CID 11290388
(8S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
CID 11543213
(1R,8R,9S)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
CID 14322179
(8R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-8-ol
CID 44265976
2-[1-(4-Ethylphenyl)propan-2-ylamino]-1-phenylethanol;hydrate
CID 44522701
(1S)-2-[(1S)-2-methyl-1,3-dihydroisoindol-1-yl]-1-(4-methylphenyl)ethanol;hydrochloride
CID 53484036
7-(4-phenylbutylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 155548394

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol?
The IUPAC name of (1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol (CID 16681083) is (1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for (1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol?
The canonical SMILES for (1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol is Cc1ccc([C@H](O)C[C@@H]2NCc3ccccc32)cc1.
What is the InChIKey of (1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol?
The InChIKey is OBEIVKIGVBUCAI-DLBZAZTESA-N. The full InChI is InChI=1S/C17H19NO/c1-12-6-8-13(9-7-12)17(19)10-16-15-5-3-2-4-14(15)11-18-16/h2-9,16-19H,10-11H2,1H3/t16-,17+/m0/s1.
What are the key properties of (1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol?
(1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol has a molecular weight of 253.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 16681083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).