7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol

C16H15NO2 — CID 135507780

IUPAC7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN=C2c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-15-10-13-12(9-14(15)18)7-8-17-16(13)11-5-3-2-4-6-11/h2-6,9-10,18H,7-8H2,1H3
InChIKeyBVUSXDVWXJHPIN-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.79
Rot. Bonds2

About 7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol

7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol (PubChem CID 135507780) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol.

Molecular Properties

Compound Name7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol
PubChem CID135507780
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN=C2c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-15-10-13-12(9-14(15)18)7-8-17-16(13)11-5-3-2-4-6-11/h2-6,9-10,18H,7-8H2,1H3
InChIKeyBVUSXDVWXJHPIN-UHFFFAOYSA-N
XLogP2.79
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol?
The IUPAC name of 7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol (CID 135507780) is 7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol.
What is the SMILES notation for 7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol?
The canonical SMILES for 7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol is COc1cc2c(cc1O)CCN=C2c1ccccc1.
What is the InChIKey of 7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol?
The InChIKey is BVUSXDVWXJHPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-15-10-13-12(9-14(15)18)7-8-17-16(13)11-5-3-2-4-6-11/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of 7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol?
7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol has a molecular weight of 253.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol is sourced from PubChem (CID 135507780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).