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

C24H21NO4 — CID 11025506

IUPAC(7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1=NCCc2cc(OCc3ccccc3)c(O)cc21
InChIInChI=1S/C24H21NO4/c1-28-21-10-6-5-9-18(21)24(27)23-19-14-20(26)22(13-17(19)11-12-25-23)29-15-16-7-3-2-4-8-16/h2-10,13-14,26H,11-12,15H2,1H3
InChIKeyYCORLDDYSIUJMU-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.21
Rot. Bonds6

About (7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone

(7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 11025506) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone
PubChem CID11025506
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1=NCCc2cc(OCc3ccccc3)c(O)cc21
InChIInChI=1S/C24H21NO4/c1-28-21-10-6-5-9-18(21)24(27)23-19-14-20(26)22(13-17(19)11-12-25-23)29-15-16-7-3-2-4-8-16/h2-10,13-14,26H,11-12,15H2,1H3
InChIKeyYCORLDDYSIUJMU-UHFFFAOYSA-N
XLogP4.21
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone with MolForge

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Related Compounds

ethyl 6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 134869084
(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone
CID 134868927
(2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone
CID 10568385
6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol
CID 91664980
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676204
6-phenylmethoxy-2,3-dihydro-1H-inden-5-ol
CID 13059019
benzyl N-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]carbamate
CID 11057351
6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride
CID 54599714
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone (CID 11025506) is (7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)C1=NCCc2cc(OCc3ccccc3)c(O)cc21.
What is the InChIKey of (7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is YCORLDDYSIUJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-28-21-10-6-5-9-18(21)24(27)23-19-14-20(26)22(13-17(19)11-12-25-23)29-15-16-7-3-2-4-8-16/h2-10,13-14,26H,11-12,15H2,1H3.
What are the key properties of (7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone?
(7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 387.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 11025506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).