(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride

C18H22ClNO3 — CID 141227263

IUPAC(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride
SMILESCOc1cc2c(cc1OC)C(C(O)c1ccccc1)NCC2.Cl
InChIInChI=1S/C18H21NO3.ClH/c1-21-15-10-13-8-9-19-17(14(13)11-16(15)22-2)18(20)12-6-4-3-5-7-12;/h3-7,10-11,17-20H,8-9H2,1-2H3;1H
InChIKeyZJMFYMKQYZYNRZ-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.05
Rot. Bonds4

About (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride

(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride (PubChem CID 141227263) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride.

Molecular Properties

Compound Name(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride
PubChem CID141227263
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride
SMILESCOc1cc2c(cc1OC)C(C(O)c1ccccc1)NCC2.Cl
InChIInChI=1S/C18H21NO3.ClH/c1-21-15-10-13-8-9-19-17(14(13)11-16(15)22-2)18(20)12-6-4-3-5-7-12;/h3-7,10-11,17-20H,8-9H2,1-2H3;1H
InChIKeyZJMFYMKQYZYNRZ-UHFFFAOYSA-N
XLogP3.05
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(R)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 90672494
(2S)-1-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-2-ol
CID 101016948
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
6,7-dimethoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3933411
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol
CID 43865947
(1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10617348
N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline
CID 54179003
6,7-dimethoxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 19610313
5-(3,4-dimethoxyphenyl)-4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methylpentanoic acid
CID 175882282
[4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 115524947
6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 142814527

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride?
The IUPAC name of (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride (CID 141227263) is (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride.
What is the SMILES notation for (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride?
The canonical SMILES for (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride is COc1cc2c(cc1OC)C(C(O)c1ccccc1)NCC2.Cl.
What is the InChIKey of (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride?
The InChIKey is ZJMFYMKQYZYNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3.ClH/c1-21-15-10-13-8-9-19-17(14(13)11-16(15)22-2)18(20)12-6-4-3-5-7-12;/h3-7,10-11,17-20H,8-9H2,1-2H3;1H.
What are the key properties of (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride?
(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol;hydrochloride is sourced from PubChem (CID 141227263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).