phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone

C16H15NO — CID 10492525

IUPACphenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H15NO/c18-16(13-4-2-1-3-5-13)14-7-6-12-8-9-17-11-15(12)10-14/h1-7,10,17H,8-9,11H2
InChIKeyGUVHGKJGZBXGED-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.56
Rot. Bonds2

About phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone

phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone (PubChem CID 10492525) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone.

Molecular Properties

Compound Namephenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
PubChem CID10492525
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Namephenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H15NO/c18-16(13-4-2-1-3-5-13)14-7-6-12-8-9-17-11-15(12)10-14/h1-7,10,17H,8-9,11H2
InChIKeyGUVHGKJGZBXGED-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The IUPAC name of phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone (CID 10492525) is phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone.
What is the SMILES notation for phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The canonical SMILES for phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone is O=C(c1ccccc1)c1ccc2c(c1)CNCC2.
What is the InChIKey of phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The InChIKey is GUVHGKJGZBXGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16(13-4-2-1-3-5-13)14-7-6-12-8-9-17-11-15(12)10-14/h1-7,10,17H,8-9,11H2.
What are the key properties of phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone is sourced from PubChem (CID 10492525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).