furan-2-yl(isoquinolin-1-yl)methanol

C14H11NO2 — CID 3509122

IUPACfuran-2-yl(isoquinolin-1-yl)methanol
SMILESOC(c1ccco1)c1nccc2ccccc12
InChIInChI=1S/C14H11NO2/c16-14(12-6-3-9-17-12)13-11-5-2-1-4-10(11)7-8-15-13/h1-9,14,16H
InChIKeyHAOHDEQITLWMIZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.91
Rot. Bonds2

About furan-2-yl(isoquinolin-1-yl)methanol

furan-2-yl(isoquinolin-1-yl)methanol (PubChem CID 3509122) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is furan-2-yl(isoquinolin-1-yl)methanol.

Molecular Properties

Compound Namefuran-2-yl(isoquinolin-1-yl)methanol
PubChem CID3509122
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Namefuran-2-yl(isoquinolin-1-yl)methanol
SMILESOC(c1ccco1)c1nccc2ccccc12
InChIInChI=1S/C14H11NO2/c16-14(12-6-3-9-17-12)13-11-5-2-1-4-10(11)7-8-15-13/h1-9,14,16H
InChIKeyHAOHDEQITLWMIZ-UHFFFAOYSA-N
XLogP2.91
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl(isoquinolin-1-yl)methanol?
The IUPAC name of furan-2-yl(isoquinolin-1-yl)methanol (CID 3509122) is furan-2-yl(isoquinolin-1-yl)methanol.
What is the SMILES notation for furan-2-yl(isoquinolin-1-yl)methanol?
The canonical SMILES for furan-2-yl(isoquinolin-1-yl)methanol is OC(c1ccco1)c1nccc2ccccc12.
What is the InChIKey of furan-2-yl(isoquinolin-1-yl)methanol?
The InChIKey is HAOHDEQITLWMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(12-6-3-9-17-12)13-11-5-2-1-4-10(11)7-8-15-13/h1-9,14,16H.
What are the key properties of furan-2-yl(isoquinolin-1-yl)methanol?
furan-2-yl(isoquinolin-1-yl)methanol has a molecular weight of 225.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(isoquinolin-1-yl)methanol is sourced from PubChem (CID 3509122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).