(R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol

C16H12FNO — CID 134968583

IUPAC(R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol
SMILESO[C@H](c1ccccc1F)c1nccc2ccccc12
InChIInChI=1S/C16H12FNO/c17-14-8-4-3-7-13(14)16(19)15-12-6-2-1-5-11(12)9-10-18-15/h1-10,16,19H/t16-/m1/s1
InChIKeyWAQJFMNFMIWSIT-MRXNPFEDSA-N
MW253.28 g/mol
LogP3.46
Rot. Bonds2

About (R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol

(R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol (PubChem CID 134968583) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is (R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol.

Molecular Properties

Compound Name(R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol
PubChem CID134968583
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name(R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol
SMILESO[C@H](c1ccccc1F)c1nccc2ccccc12
InChIInChI=1S/C16H12FNO/c17-14-8-4-3-7-13(14)16(19)15-12-6-2-1-5-11(12)9-10-18-15/h1-10,16,19H/t16-/m1/s1
InChIKeyWAQJFMNFMIWSIT-MRXNPFEDSA-N
XLogP3.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
4-(Hydroxymethyl)quinoline
CID 80479
Isoquinolin-1-yl(phenyl)methanol
CID 2789853
Doxylamine alcohol
CID 86883
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
Phenyl(pyridin-2-yl)methanol
CID 315585
(Quinolin-3-yl)methanol
CID 12662983
Phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol
CID 18511481
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164
5-(4-Fluorophenyl)-2-hydroxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
CID 10065071
(7R,9S)-7-(((3S,4R)-3-methyl-4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11152739
trans-(+)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11187225

Frequently Asked Questions

What is the IUPAC name of (R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol?
The IUPAC name of (R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol (CID 134968583) is (R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol.
What is the SMILES notation for (R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol?
The canonical SMILES for (R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol is O[C@H](c1ccccc1F)c1nccc2ccccc12.
What is the InChIKey of (R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol?
The InChIKey is WAQJFMNFMIWSIT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H12FNO/c17-14-8-4-3-7-13(14)16(19)15-12-6-2-1-5-11(12)9-10-18-15/h1-10,16,19H/t16-/m1/s1.
What are the key properties of (R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol?
(R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol has a molecular weight of 253.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-fluorophenyl)-isoquinolin-1-ylmethanol is sourced from PubChem (CID 134968583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).