7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol

C18H21NO3 — CID 25073096

IUPAC7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1ccc(CN2CCc3cc(O)c(OC)cc3C2)cc1
InChIInChI=1S/C18H21NO3/c1-21-16-5-3-13(4-6-16)11-19-8-7-14-9-17(20)18(22-2)10-15(14)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3
InChIKeyHYGQVUMHNFKZLS-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.97
Rot. Bonds4

About 7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol

7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 25073096) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID25073096
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1ccc(CN2CCc3cc(O)c(OC)cc3C2)cc1
InChIInChI=1S/C18H21NO3/c1-21-16-5-3-13(4-6-16)11-19-8-7-14-9-17(20)18(22-2)10-15(14)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3
InChIKeyHYGQVUMHNFKZLS-UHFFFAOYSA-N
XLogP2.97
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol (CID 25073096) is 7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol is COc1ccc(CN2CCc3cc(O)c(OC)cc3C2)cc1.
What is the InChIKey of 7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is HYGQVUMHNFKZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-16-5-3-13(4-6-16)11-19-8-7-14-9-17(20)18(22-2)10-15(14)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3.
What are the key properties of 7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 299.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 25073096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).