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

C18H21NO3 — CID 25073098

IUPAC7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(Cc1ccccc1OC)C2
InChIInChI=1S/C18H21NO3/c1-21-17-6-4-3-5-14(17)11-19-8-7-13-9-16(20)18(22-2)10-15(13)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3
InChIKeyPVMSNEUIMMPUFK-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.97
Rot. Bonds4

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

7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 25073098) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID25073098
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(Cc1ccccc1OC)C2
InChIInChI=1S/C18H21NO3/c1-21-17-6-4-3-5-14(17)11-19-8-7-13-9-16(20)18(22-2)10-15(13)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3
InChIKeyPVMSNEUIMMPUFK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1377084
2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 91227364
7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409118
4,7-dimethoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 91308814
2-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453579
7-methoxy-2-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409105
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
CID 23053179
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
6,7-dimethoxy-2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3710877
N-[2-[(2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
CID 42558013
6,7-dimethoxy-2-[(2-methoxy-3-prop-2-ynoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 87947047

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol (CID 25073098) is 7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol is COc1cc2c(cc1O)CCN(Cc1ccccc1OC)C2.
What is the InChIKey of 7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is PVMSNEUIMMPUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-17-6-4-3-5-14(17)11-19-8-7-13-9-16(20)18(22-2)10-15(13)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3.
What are the key properties of 7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
7-methoxy-2-[(2-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-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 25073098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).