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

C16H16ClNO — CID 14198596

IUPAC7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1Cc2cc(Cl)c(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C16H16ClNO/c1-18-9-12-7-15(17)16(19)8-13(12)14(10-18)11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3
InChIKeyQMEAXKMTOSHGKG-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.62
Rot. Bonds1

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

7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 14198596) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID14198596
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCN1Cc2cc(Cl)c(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C16H16ClNO/c1-18-9-12-7-15(17)16(19)8-13(12)14(10-18)11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3
InChIKeyQMEAXKMTOSHGKG-UHFFFAOYSA-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 7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 14198596) is 7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is CN1Cc2cc(Cl)c(O)cc2C(c2ccccc2)C1.
What is the InChIKey of 7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is QMEAXKMTOSHGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-18-9-12-7-15(17)16(19)8-13(12)14(10-18)11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3.
What are the key properties of 7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-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 7-chloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 14198596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).