2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol

C18H21NO — CID 18172444

IUPAC2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCC(C)C1c2ccc(O)cc2CCN1c1ccccc1
InChIInChI=1S/C18H21NO/c1-13(2)18-17-9-8-16(20)12-14(17)10-11-19(18)15-6-4-3-5-7-15/h3-9,12-13,18,20H,10-11H2,1-2H3
InChIKeyGATWFGBHSNOLIN-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.15
Rot. Bonds2

About 2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol

2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 18172444) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID18172444
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCC(C)C1c2ccc(O)cc2CCN1c1ccccc1
InChIInChI=1S/C18H21NO/c1-13(2)18-17-9-8-16(20)12-14(17)10-11-19(18)15-6-4-3-5-7-15/h3-9,12-13,18,20H,10-11H2,1-2H3
InChIKeyGATWFGBHSNOLIN-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol (CID 18172444) is 2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol is CC(C)C1c2ccc(O)cc2CCN1c1ccccc1.
What is the InChIKey of 2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is GATWFGBHSNOLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)18-17-9-8-16(20)12-14(17)10-11-19(18)15-6-4-3-5-7-15/h3-9,12-13,18,20H,10-11H2,1-2H3.
What are the key properties of 2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol?
2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 267.37 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 18172444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).