(2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone

C24H21NO3 — CID 11079207

IUPAC(2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESCOc1ccccc1C(=O)C1=NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H21NO3/c1-27-22-10-6-5-9-21(22)24(26)23-20-12-11-19(15-18(20)13-14-25-23)28-16-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3
InChIKeyJSSYSUSLWIXSQD-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.50
Rot. Bonds6

About (2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone

(2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone (PubChem CID 11079207) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
PubChem CID11079207
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESCOc1ccccc1C(=O)C1=NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H21NO3/c1-27-22-10-6-5-9-21(22)24(26)23-20-12-11-19(15-18(20)13-14-25-23)28-16-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3
InChIKeyJSSYSUSLWIXSQD-UHFFFAOYSA-N
XLogP4.50
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone (CID 11079207) is (2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone is COc1ccccc1C(=O)C1=NCCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of (2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The InChIKey is JSSYSUSLWIXSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-27-22-10-6-5-9-21(22)24(26)23-20-12-11-19(15-18(20)13-14-25-23)28-16-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3.
What are the key properties of (2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
(2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone is sourced from PubChem (CID 11079207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).