methanol;6-methoxyisoquinoline;4-methylphenol

C18H21NO3 — CID 143309135

IUPACmethanol;6-methoxyisoquinoline;4-methylphenol
SMILESCO.COc1ccc2cnccc2c1.Cc1ccc(O)cc1
InChIInChI=1S/C10H9NO.C7H8O.CH4O/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;1-6-2-4-7(8)5-3-6;1-2/h2-7H,1H3;2-5,8H,1H3;2H,1H3
InChIKeyDPWBMCOBWONSGI-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.55
Rot. Bonds1

About methanol;6-methoxyisoquinoline;4-methylphenol

methanol;6-methoxyisoquinoline;4-methylphenol (PubChem CID 143309135) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is methanol;6-methoxyisoquinoline;4-methylphenol.

Molecular Properties

Compound Namemethanol;6-methoxyisoquinoline;4-methylphenol
PubChem CID143309135
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namemethanol;6-methoxyisoquinoline;4-methylphenol
SMILESCO.COc1ccc2cnccc2c1.Cc1ccc(O)cc1
InChIInChI=1S/C10H9NO.C7H8O.CH4O/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;1-6-2-4-7(8)5-3-6;1-2/h2-7H,1H3;2-5,8H,1H3;2H,1H3
InChIKeyDPWBMCOBWONSGI-UHFFFAOYSA-N
XLogP3.55
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxyphenol;4-methylphenol
CID 158312507
ethane;6-methylisoquinoline
CID 145106291
6-methoxyisoquinoline;6-methoxy-2-oxidoisoquinolin-2-ium;hydrochloride
CID 157171667
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
1-methoxy-4-methylbenzene;phenol
CID 167630836
isoquinolin-6-yl methyl carbonate
CID 22364569
methane;4-methoxyphenol
CID 159494332
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
1-(113C)methoxy-4-methylbenzene
CID 166176950
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
isoquinolin-6-yl hydrogen carbonate
CID 57194727

Frequently Asked Questions

What is the IUPAC name of methanol;6-methoxyisoquinoline;4-methylphenol?
The IUPAC name of methanol;6-methoxyisoquinoline;4-methylphenol (CID 143309135) is methanol;6-methoxyisoquinoline;4-methylphenol.
What is the SMILES notation for methanol;6-methoxyisoquinoline;4-methylphenol?
The canonical SMILES for methanol;6-methoxyisoquinoline;4-methylphenol is CO.COc1ccc2cnccc2c1.Cc1ccc(O)cc1.
What is the InChIKey of methanol;6-methoxyisoquinoline;4-methylphenol?
The InChIKey is DPWBMCOBWONSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C7H8O.CH4O/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;1-6-2-4-7(8)5-3-6;1-2/h2-7H,1H3;2-5,8H,1H3;2H,1H3.
What are the key properties of methanol;6-methoxyisoquinoline;4-methylphenol?
methanol;6-methoxyisoquinoline;4-methylphenol has a molecular weight of 299.37 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;6-methoxyisoquinoline;4-methylphenol is sourced from PubChem (CID 143309135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).