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

C24H21NO3 — CID 10429299

IUPAC(3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESCOc1cccc(C(=O)C2=NCCc3cc(OCc4ccccc4)ccc32)c1
InChIInChI=1S/C24H21NO3/c1-27-20-9-5-8-19(15-20)24(26)23-22-11-10-21(14-18(22)12-13-25-23)28-16-17-6-3-2-4-7-17/h2-11,14-15H,12-13,16H2,1H3
InChIKeyHKEOFSSEIVWHJS-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.50
Rot. Bonds6

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

(3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone (PubChem CID 10429299) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
PubChem CID10429299
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESCOc1cccc(C(=O)C2=NCCc3cc(OCc4ccccc4)ccc32)c1
InChIInChI=1S/C24H21NO3/c1-27-20-9-5-8-19(15-20)24(26)23-22-11-10-21(14-18(22)12-13-25-23)28-16-17-6-3-2-4-7-17/h2-11,14-15H,12-13,16H2,1H3
InChIKeyHKEOFSSEIVWHJS-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 (3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone (CID 10429299) is (3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone is COc1cccc(C(=O)C2=NCCc3cc(OCc4ccccc4)ccc32)c1.
What is the InChIKey of (3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The InChIKey is HKEOFSSEIVWHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-27-20-9-5-8-19(15-20)24(26)23-22-11-10-21(14-18(22)12-13-25-23)28-16-17-6-3-2-4-7-17/h2-11,14-15H,12-13,16H2,1H3.
What are the key properties of (3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
(3-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 (3-methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone is sourced from PubChem (CID 10429299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).