isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol

C18H17NO2 — CID 63940924

IUPACisoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2cncc3ccccc23)cc1C
InChIInChI=1S/C18H17NO2/c1-12-9-13(7-8-17(12)21-2)18(20)16-11-19-10-14-5-3-4-6-15(14)16/h3-11,18,20H,1-2H3
InChIKeyANNXQWWSPBFMEL-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.63
Rot. Bonds3

About isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol

isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol (PubChem CID 63940924) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol.

Molecular Properties

Compound Nameisoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol
PubChem CID63940924
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Nameisoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2cncc3ccccc23)cc1C
InChIInChI=1S/C18H17NO2/c1-12-9-13(7-8-17(12)21-2)18(20)16-11-19-10-14-5-3-4-6-15(14)16/h3-11,18,20H,1-2H3
InChIKeyANNXQWWSPBFMEL-UHFFFAOYSA-N
XLogP3.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

isoquinolin-4-yl-(3-methylphenyl)methanol
CID 63938792
isoquinolin-4-yl(pyrimidin-5-yl)methanol
CID 104504669
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol
CID 79970972
(4-methoxy-3-methylphenyl)-(2-methylfuran-3-yl)methanol
CID 61082456
(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907
isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol
CID 105097605
(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol
CID 81198121
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721
(4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol
CID 63969426
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
CID 105097633

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol?
The IUPAC name of isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol (CID 63940924) is isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol.
What is the SMILES notation for isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol?
The canonical SMILES for isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol is COc1ccc(C(O)c2cncc3ccccc23)cc1C.
What is the InChIKey of isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol?
The InChIKey is ANNXQWWSPBFMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-9-13(7-8-17(12)21-2)18(20)16-11-19-10-14-5-3-4-6-15(14)16/h3-11,18,20H,1-2H3.
What are the key properties of isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol?
isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol has a molecular weight of 279.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol is sourced from PubChem (CID 63940924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).