2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone

C18H19NO2 — CID 116609283

IUPAC2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc3c(c2)CNCC3)c1
InChIInChI=1S/C18H19NO2/c1-21-17-4-2-3-13(9-17)10-18(20)15-6-5-14-7-8-19-12-16(14)11-15/h2-6,9,11,19H,7-8,10,12H2,1H3
InChIKeyJOSFMWQKHYNPGQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.77
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone

2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone (PubChem CID 116609283) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
PubChem CID116609283
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc3c(c2)CNCC3)c1
InChIInChI=1S/C18H19NO2/c1-21-17-4-2-3-13(9-17)10-18(20)15-6-5-14-7-8-19-12-16(14)11-15/h2-6,9,11,19H,7-8,10,12H2,1H3
InChIKeyJOSFMWQKHYNPGQ-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 43338181
(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609310
2-(3,5-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609213
2-(2,6-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609302
2-(3-bromo-4-fluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609313
(3-methoxyphenyl)methyl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 103999589
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43379572
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
CID 116612991
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pent-4-en-1-one
CID 114478071
2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609415

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone (CID 116609283) is 2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone is COc1cccc(CC(=O)c2ccc3c(c2)CNCC3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The InChIKey is JOSFMWQKHYNPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-17-4-2-3-13(9-17)10-18(20)15-6-5-14-7-8-19-12-16(14)11-15/h2-6,9,11,19H,7-8,10,12H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone has a molecular weight of 281.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone is sourced from PubChem (CID 116609283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).