(3-isoquinolin-6-yl-2-methylphenyl)methanol

C17H15NO — CID 138748878

IUPAC(3-isoquinolin-6-yl-2-methylphenyl)methanol
SMILESCc1c(CO)cccc1-c1ccc2cnccc2c1
InChIInChI=1S/C17H15NO/c1-12-16(11-19)3-2-4-17(12)14-5-6-15-10-18-8-7-13(15)9-14/h2-10,19H,11H2,1H3
InChIKeyBMPNEAZXDMBCJT-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.70
Rot. Bonds2

About (3-isoquinolin-6-yl-2-methylphenyl)methanol

(3-isoquinolin-6-yl-2-methylphenyl)methanol (PubChem CID 138748878) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-isoquinolin-6-yl-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-isoquinolin-6-yl-2-methylphenyl)methanol
PubChem CID138748878
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(3-isoquinolin-6-yl-2-methylphenyl)methanol
SMILESCc1c(CO)cccc1-c1ccc2cnccc2c1
InChIInChI=1S/C17H15NO/c1-12-16(11-19)3-2-4-17(12)14-5-6-15-10-18-8-7-13(15)9-14/h2-10,19H,11H2,1H3
InChIKeyBMPNEAZXDMBCJT-UHFFFAOYSA-N
XLogP3.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-isoquinolin-6-yl-2-methylphenyl)methanol?
The IUPAC name of (3-isoquinolin-6-yl-2-methylphenyl)methanol (CID 138748878) is (3-isoquinolin-6-yl-2-methylphenyl)methanol.
What is the SMILES notation for (3-isoquinolin-6-yl-2-methylphenyl)methanol?
The canonical SMILES for (3-isoquinolin-6-yl-2-methylphenyl)methanol is Cc1c(CO)cccc1-c1ccc2cnccc2c1.
What is the InChIKey of (3-isoquinolin-6-yl-2-methylphenyl)methanol?
The InChIKey is BMPNEAZXDMBCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-12-16(11-19)3-2-4-17(12)14-5-6-15-10-18-8-7-13(15)9-14/h2-10,19H,11H2,1H3.
What are the key properties of (3-isoquinolin-6-yl-2-methylphenyl)methanol?
(3-isoquinolin-6-yl-2-methylphenyl)methanol has a molecular weight of 249.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-isoquinolin-6-yl-2-methylphenyl)methanol is sourced from PubChem (CID 138748878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).