(1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride

C17H19Cl2NO — CID 56671899

IUPAC(1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride
SMILESCN1Cc2ccccc2[C@H]1C[C@@H](O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H18ClNO.ClH/c1-19-11-13-4-2-3-5-15(13)16(19)10-17(20)12-6-8-14(18)9-7-12;/h2-9,16-17,20H,10-11H2,1H3;1H/t16-,17-;/m1./s1
InChIKeyPWTHOTSIBAYZQQ-GBNZRNLASA-N
MW324.25 g/mol
LogP4.37
Rot. Bonds3

About (1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride

(1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride (PubChem CID 56671899) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride
PubChem CID56671899
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name(1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride
SMILESCN1Cc2ccccc2[C@H]1C[C@@H](O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H18ClNO.ClH/c1-19-11-13-4-2-3-5-15(13)16(19)10-17(20)12-6-8-14(18)9-7-12;/h2-9,16-17,20H,10-11H2,1H3;1H/t16-,17-;/m1./s1
InChIKeyPWTHOTSIBAYZQQ-GBNZRNLASA-N
XLogP4.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-chlorophenyl)-2-[(1S)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride
CID 53484050
(1R)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]-1-(4-methylphenyl)ethanol;hydrochloride
CID 56658029
CID 15963515
CID 15963515
(2R)-3-(4-chlorophenyl)-2-[[2-(2-methyl-1,3-dihydroisoindol-1-yl)acetyl]amino]propanoic acid
CID 58777852
1-benzyl-2-methyl-1,3-dihydroisoindole
CID 10585192
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150
(1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol
CID 16681083
1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114539808
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide
CID 166384244
(4-chlorophenyl)-(9H-fluoren-9-yl)methanol
CID 132507979
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 110887524

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride (CID 56671899) is (1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride is CN1Cc2ccccc2[C@H]1C[C@@H](O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride?
The InChIKey is PWTHOTSIBAYZQQ-GBNZRNLASA-N. The full InChI is InChI=1S/C17H18ClNO.ClH/c1-19-11-13-4-2-3-5-15(13)16(19)10-17(20)12-6-8-14(18)9-7-12;/h2-9,16-17,20H,10-11H2,1H3;1H/t16-,17-;/m1./s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride?
(1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride has a molecular weight of 324.25 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 56671899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).