1-isoquinolin-4-yl-2-methoxy-1-phenylethanol

C18H17NO2 — CID 103465697

IUPAC1-isoquinolin-4-yl-2-methoxy-1-phenylethanol
SMILESCOCC(O)(c1ccccc1)c1cncc2ccccc12
InChIInChI=1S/C18H17NO2/c1-21-13-18(20,15-8-3-2-4-9-15)17-12-19-11-14-7-5-6-10-16(14)17/h2-12,20H,13H2,1H3
InChIKeyWBEOPUCDLFZXBG-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.12
Rot. Bonds4

About 1-isoquinolin-4-yl-2-methoxy-1-phenylethanol

1-isoquinolin-4-yl-2-methoxy-1-phenylethanol (PubChem CID 103465697) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-2-methoxy-1-phenylethanol.

Molecular Properties

Compound Name1-isoquinolin-4-yl-2-methoxy-1-phenylethanol
PubChem CID103465697
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-isoquinolin-4-yl-2-methoxy-1-phenylethanol
SMILESCOCC(O)(c1ccccc1)c1cncc2ccccc12
InChIInChI=1S/C18H17NO2/c1-21-13-18(20,15-8-3-2-4-9-15)17-12-19-11-14-7-5-6-10-16(14)17/h2-12,20H,13H2,1H3
InChIKeyWBEOPUCDLFZXBG-UHFFFAOYSA-N
XLogP3.12
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Diphenyl-2-(3-pyridinyl)ethanol
CID 238376
1,1-Diphenyl-2-pyridin-4-ylethanol
CID 303194
(2R,3S,4S,5S,6R)-2-[(R)-hydroxy-(4-isoquinolin-5-yl-2-methylphenyl)methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 130409062
Diphenyl(pyridin-3-yl)methanol
CID 298509
(3-Phenylisoquinolin-4-yl)methanol
CID 11806617
[Pyridine-3,5-diyldi(4,1-phenylene)]dimethanol
CID 44308273
8-Isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Enantiomer I
CID 121389373
3,4-Dihydro-5-(6-isoquinolinyl)-1H-pyrano[3,4-c]pyridin-4-ol
CID 121389401
8-Phenyl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Enantiomer I
CID 121389449
3-Pyridinemethanol, alpha-phenyl-alpha-(2-phenylethenyl)-, (Z)-
CID 6446244
1,2-Diphenyl-1-(pyridin-3-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 21149830
Isoquinolin-4-ylmethanol
CID 12746377

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-2-methoxy-1-phenylethanol?
The IUPAC name of 1-isoquinolin-4-yl-2-methoxy-1-phenylethanol (CID 103465697) is 1-isoquinolin-4-yl-2-methoxy-1-phenylethanol.
What is the SMILES notation for 1-isoquinolin-4-yl-2-methoxy-1-phenylethanol?
The canonical SMILES for 1-isoquinolin-4-yl-2-methoxy-1-phenylethanol is COCC(O)(c1ccccc1)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-2-methoxy-1-phenylethanol?
The InChIKey is WBEOPUCDLFZXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-21-13-18(20,15-8-3-2-4-9-15)17-12-19-11-14-7-5-6-10-16(14)17/h2-12,20H,13H2,1H3.
What are the key properties of 1-isoquinolin-4-yl-2-methoxy-1-phenylethanol?
1-isoquinolin-4-yl-2-methoxy-1-phenylethanol has a molecular weight of 279.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-2-methoxy-1-phenylethanol is sourced from PubChem (CID 103465697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).