6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol

C19H25NO3 — CID 142473817

IUPAC6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol
SMILESCOC1=CC=C2C(C)NCCC2(c2c(C)ccc(OC)c2O)C1
InChIInChI=1S/C19H25NO3/c1-12-5-8-16(23-4)18(21)17(12)19-9-10-20-13(2)15(19)7-6-14(11-19)22-3/h5-8,13,20-21H,9-11H2,1-4H3
InChIKeyUYGYWOXVMZQBGP-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.19
Rot. Bonds3

About 6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol

6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol (PubChem CID 142473817) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol.

Molecular Properties

Compound Name6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol
PubChem CID142473817
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol
SMILESCOC1=CC=C2C(C)NCCC2(c2c(C)ccc(OC)c2O)C1
InChIInChI=1S/C19H25NO3/c1-12-5-8-16(23-4)18(21)17(12)19-9-10-20-13(2)15(19)7-6-14(11-19)22-3/h5-8,13,20-21H,9-11H2,1-4H3
InChIKeyUYGYWOXVMZQBGP-UHFFFAOYSA-N
XLogP3.19
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol with MolForge

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Related Compounds

2-[(1R,4aS)-6-methoxy-1,2-dimethyl-1,3,4,5-tetrahydroisoquinolin-4a-yl]-6-methoxy-3-methylphenol
CID 145025346
4a-(2-hydroxy-3-methoxy-6-methylphenyl)-7-methoxy-1-methyl-1,2,3,4,5,8a-hexahydroisoquinolin-6-one
CID 53358974
17-(cyclopropylmethyl)-4,13-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,12-pentaen-3-ol
CID 142473832
6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol
CID 144887319
1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
(1R,10S)-3-hydroxy-4,12-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 88989068
7-methoxy-4-methylspiro[1H-indole-3,4'-piperidine]-2-one
CID 84632325
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117356265
7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84622575
(1S,4S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-4,8-diol
CID 7055314
4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine
CID 79838026

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol?
The IUPAC name of 6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol (CID 142473817) is 6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol.
What is the SMILES notation for 6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol?
The canonical SMILES for 6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol is COC1=CC=C2C(C)NCCC2(c2c(C)ccc(OC)c2O)C1.
What is the InChIKey of 6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol?
The InChIKey is UYGYWOXVMZQBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12-5-8-16(23-4)18(21)17(12)19-9-10-20-13(2)15(19)7-6-14(11-19)22-3/h5-8,13,20-21H,9-11H2,1-4H3.
What are the key properties of 6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol?
6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol has a molecular weight of 315.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol is sourced from PubChem (CID 142473817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).