(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol

C18H17NO3 — CID 125482431

IUPAC(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)c2nccc3cc(OC)ccc23)cc1
InChIInChI=1S/C18H17NO3/c1-21-14-5-3-12(4-6-14)18(20)17-16-8-7-15(22-2)11-13(16)9-10-19-17/h3-11,18,20H,1-2H3/t18-/m0/s1
InChIKeyWOJZBPWGOGXEEH-SFHVURJKSA-N
MW295.34 g/mol
LogP3.33
Rot. Bonds4

About (S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol

(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol (PubChem CID 125482431) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
PubChem CID125482431
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)c2nccc3cc(OC)ccc23)cc1
InChIInChI=1S/C18H17NO3/c1-21-14-5-3-12(4-6-14)18(20)17-16-8-7-15(22-2)11-13(16)9-10-19-17/h3-11,18,20H,1-2H3/t18-/m0/s1
InChIKeyWOJZBPWGOGXEEH-SFHVURJKSA-N
XLogP3.33
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

isoquinolin-1-yl-(4-methoxyphenyl)methanol
CID 4211286
(S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol
CID 162657764
3-(6-methoxyisoquinolin-1-yl)butan-1-amine
CID 116995375
2-(6-methoxyisoquinolin-1-yl)-2-(methylamino)acetic acid
CID 116995460
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
CID 53321045
1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
2-(6-methoxyisoquinolin-1-yl)propan-2-ol
CID 116995429
3-(6-methoxyisoquinolin-1-yl)-2-methylpropanoic acid
CID 116995409
(R)-(4-bromophenyl)-(7-methoxyquinolin-4-yl)methanol
CID 124560040
(4-butyl-3-methoxyphenyl)-isoquinolin-1-ylmethanol
CID 59715624
[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265

Frequently Asked Questions

What is the IUPAC name of (S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol?
The IUPAC name of (S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol (CID 125482431) is (S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol is COc1ccc([C@H](O)c2nccc3cc(OC)ccc23)cc1.
What is the InChIKey of (S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol?
The InChIKey is WOJZBPWGOGXEEH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-14-5-3-12(4-6-14)18(20)17-16-8-7-15(22-2)11-13(16)9-10-19-17/h3-11,18,20H,1-2H3/t18-/m0/s1.
What are the key properties of (S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol?
(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol has a molecular weight of 295.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 125482431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).