2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol

C17H17F2NO2 — CID 91227364

IUPAC2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C17H17F2NO2/c1-22-17-7-13-10-20(3-2-12(13)6-16(17)21)9-11-4-14(18)8-15(19)5-11/h4-8,21H,2-3,9-10H2,1H3
InChIKeyMWNCCOFEHADMCK-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.24
Rot. Bonds3

About 2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol

2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 91227364) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID91227364
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C17H17F2NO2/c1-22-17-7-13-10-20(3-2-12(13)6-16(17)21)9-11-4-14(18)8-15(19)5-11/h4-8,21H,2-3,9-10H2,1H3
InChIKeyMWNCCOFEHADMCK-UHFFFAOYSA-N
XLogP3.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol with MolForge

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Related Compounds

2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 91109625
2-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453579
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 46201610
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-iodo-6-methoxyphenol
CID 1376220
7-methoxy-2-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409105
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409118
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol (CID 91227364) is 2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol is COc1cc2c(cc1O)CCN(Cc1cc(F)cc(F)c1)C2.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is MWNCCOFEHADMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-22-17-7-13-10-20(3-2-12(13)6-16(17)21)9-11-4-14(18)8-15(19)5-11/h4-8,21H,2-3,9-10H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 305.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 91227364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).