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

C17H17NO2 — CID 116609310

IUPAC(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
SMILESCOc1cccc(C(=O)c2ccc3c(c2)CNCC3)c1
InChIInChI=1S/C17H17NO2/c1-20-16-4-2-3-13(10-16)17(19)14-6-5-12-7-8-18-11-15(12)9-14/h2-6,9-10,18H,7-8,11H2,1H3
InChIKeyOLLWXONVTCGTBM-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.57
Rot. Bonds3

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

(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone (PubChem CID 116609310) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
PubChem CID116609310
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
SMILESCOc1cccc(C(=O)c2ccc3c(c2)CNCC3)c1
InChIInChI=1S/C17H17NO2/c1-20-16-4-2-3-13(10-16)17(19)14-6-5-12-7-8-18-11-15(12)9-14/h2-6,9-10,18H,7-8,11H2,1H3
InChIKeyOLLWXONVTCGTBM-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
CID 116612991
2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609283
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609315
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
(4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612565
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)methyl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 103999589
1,2,3,4-tetrahydroisoquinolin-7-amine;3-(trifluoromethoxy)benzamide
CID 142270751
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297098
2-(2,6-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609302

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone (CID 116609310) is (3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone is COc1cccc(C(=O)c2ccc3c(c2)CNCC3)c1.
What is the InChIKey of (3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The InChIKey is OLLWXONVTCGTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-16-4-2-3-13(10-16)17(19)14-6-5-12-7-8-18-11-15(12)9-14/h2-6,9-10,18H,7-8,11H2,1H3.
What are the key properties of (3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone is sourced from PubChem (CID 116609310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).