(1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

C17H18ClNO — CID 14198587

IUPAC(1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1CCc2cc(Cl)c(O)cc2[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3/t16-/m0/s1
InChIKeyJHDHNKDQVCVUJN-INIZCTEOSA-N
MW287.79 g/mol
LogP3.82
Rot. Bonds2

About (1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

(1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 14198587) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name(1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID14198587
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1CCc2cc(Cl)c(O)cc2[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3/t16-/m0/s1
InChIKeyJHDHNKDQVCVUJN-INIZCTEOSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of (1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (CID 14198587) is (1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for (1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for (1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is CN1CCc2cc(Cl)c(O)cc2[C@@H]1Cc1ccccc1.
What is the InChIKey of (1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is JHDHNKDQVCVUJN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
(1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 287.79 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 14198587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).