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

C16H16ClNO — CID 10107367

IUPAC(1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
InChIKeyAVXGCGYACIYZAR-INIZCTEOSA-N
MW273.76 g/mol
LogP3.62
Rot. Bonds1

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

(1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 10107367) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name(1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID10107367
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1
InChIKeyAVXGCGYACIYZAR-INIZCTEOSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of (1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol (CID 10107367) is (1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for (1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for (1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol is CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1.
What is the InChIKey of (1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is AVXGCGYACIYZAR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol?
(1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 273.76 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 10107367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).