(3-phenylisoquinolin-4-yl)methanol

C16H13NO — CID 11806617

IUPAC(3-phenylisoquinolin-4-yl)methanol
SMILESOCc1c(-c2ccccc2)ncc2ccccc12
InChIInChI=1S/C16H13NO/c18-11-15-14-9-5-4-8-13(14)10-17-16(15)12-6-2-1-3-7-12/h1-10,18H,11H2
InChIKeyZMQCDGMHTIQCDS-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.39
Rot. Bonds2

About (3-phenylisoquinolin-4-yl)methanol

(3-phenylisoquinolin-4-yl)methanol (PubChem CID 11806617) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (3-phenylisoquinolin-4-yl)methanol.

Molecular Properties

Compound Name(3-phenylisoquinolin-4-yl)methanol
PubChem CID11806617
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(3-phenylisoquinolin-4-yl)methanol
SMILESOCc1c(-c2ccccc2)ncc2ccccc12
InChIInChI=1S/C16H13NO/c18-11-15-14-9-5-4-8-13(14)10-17-16(15)12-6-2-1-3-7-12/h1-10,18H,11H2
InChIKeyZMQCDGMHTIQCDS-UHFFFAOYSA-N
XLogP3.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-phenylisoquinolin-4-yl)methanol?
The IUPAC name of (3-phenylisoquinolin-4-yl)methanol (CID 11806617) is (3-phenylisoquinolin-4-yl)methanol.
What is the SMILES notation for (3-phenylisoquinolin-4-yl)methanol?
The canonical SMILES for (3-phenylisoquinolin-4-yl)methanol is OCc1c(-c2ccccc2)ncc2ccccc12.
What is the InChIKey of (3-phenylisoquinolin-4-yl)methanol?
The InChIKey is ZMQCDGMHTIQCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-11-15-14-9-5-4-8-13(14)10-17-16(15)12-6-2-1-3-7-12/h1-10,18H,11H2.
What are the key properties of (3-phenylisoquinolin-4-yl)methanol?
(3-phenylisoquinolin-4-yl)methanol has a molecular weight of 235.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylisoquinolin-4-yl)methanol is sourced from PubChem (CID 11806617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).