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

C16H17NO — CID 10014488

IUPAC2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1CCc2ccc(O)cc2C1c1ccccc1
InChIInChI=1S/C16H17NO/c1-17-10-9-12-7-8-14(18)11-15(12)16(17)13-5-3-2-4-6-13/h2-8,11,16,18H,9-10H2,1H3
InChIKeyPEUDHTAWXOYHKH-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.97
Rot. Bonds1

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

2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 10014488) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID10014488
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1CCc2ccc(O)cc2C1c1ccccc1
InChIInChI=1S/C16H17NO/c1-17-10-9-12-7-8-14(18)11-15(12)16(17)13-5-3-2-4-6-13/h2-8,11,16,18H,9-10H2,1H3
InChIKeyPEUDHTAWXOYHKH-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol (CID 10014488) is 2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol is CN1CCc2ccc(O)cc2C1c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is PEUDHTAWXOYHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-10-9-12-7-8-14(18)11-15(12)16(17)13-5-3-2-4-6-13/h2-8,11,16,18H,9-10H2,1H3.
What are the key properties of 2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol?
2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 239.32 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 10014488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).