(1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol

C17H18ClNO — CID 39389983

IUPAC(1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol
SMILESO[C@@H](CN1CCc2ccccc2C1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO/c18-16-7-3-6-14(10-16)17(20)12-19-9-8-13-4-1-2-5-15(13)11-19/h1-7,10,17,20H,8-9,11-12H2/t17-/m0/s1
InChIKeyIIAQFDWFGNKXGA-KRWDZBQOSA-N
MW287.79 g/mol
LogP3.43
Rot. Bonds3

About (1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol

(1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol (PubChem CID 39389983) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol
PubChem CID39389983
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol
SMILESO[C@@H](CN1CCc2ccccc2C1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO/c18-16-7-3-6-14(10-16)17(20)12-19-9-8-13-4-1-2-5-15(13)11-19/h1-7,10,17,20H,8-9,11-12H2/t17-/m0/s1
InChIKeyIIAQFDWFGNKXGA-KRWDZBQOSA-N
XLogP3.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 3809523
2-(2-chloro-2-phenylethyl)-3,4-dihydro-1H-isoquinoline
CID 82214226
1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol
CID 62624190
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
(1S)-1-(3-chlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 92764459
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol
CID 82044560
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol
CID 82074589
N-[1-[2-(3-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 71986979
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 133351341

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol (CID 39389983) is (1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol is O[C@@H](CN1CCc2ccccc2C1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
The InChIKey is IIAQFDWFGNKXGA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-16-7-3-6-14(10-16)17(20)12-19-9-8-13-4-1-2-5-15(13)11-19/h1-7,10,17,20H,8-9,11-12H2/t17-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
(1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol has a molecular weight of 287.79 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol is sourced from PubChem (CID 39389983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).