deuterio-(2-phenylquinolin-4-yl)methanol

C16H13NO — CID 88591215

IUPACdeuterio-(2-phenylquinolin-4-yl)methanol
SMILES[2H]C(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H13NO/c18-11-13-10-16(12-6-2-1-3-7-12)17-15-9-5-4-8-14(13)15/h1-10,18H,11H2/i11D
InChIKeyZKFWJDXPMSASAF-WORMITQPSA-N
MW236.29 g/mol
LogP3.39
Rot. Bonds2

About deuterio-(2-phenylquinolin-4-yl)methanol

deuterio-(2-phenylquinolin-4-yl)methanol (PubChem CID 88591215) has the molecular formula C16H13NO and a molecular weight of 236.29 g/mol. Its IUPAC name is deuterio-(2-phenylquinolin-4-yl)methanol.

Molecular Properties

Compound Namedeuterio-(2-phenylquinolin-4-yl)methanol
PubChem CID88591215
Molecular FormulaC16H13NO
Molecular Weight236.29 g/mol
Exact Mass236.11
IUPAC Namedeuterio-(2-phenylquinolin-4-yl)methanol
SMILES[2H]C(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H13NO/c18-11-13-10-16(12-6-2-1-3-7-12)17-15-9-5-4-8-14(13)15/h1-10,18H,11H2/i11D
InChIKeyZKFWJDXPMSASAF-WORMITQPSA-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 ≤ 500236.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of deuterio-(2-phenylquinolin-4-yl)methanol?
The IUPAC name of deuterio-(2-phenylquinolin-4-yl)methanol (CID 88591215) is deuterio-(2-phenylquinolin-4-yl)methanol.
What is the SMILES notation for deuterio-(2-phenylquinolin-4-yl)methanol?
The canonical SMILES for deuterio-(2-phenylquinolin-4-yl)methanol is [2H]C(O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of deuterio-(2-phenylquinolin-4-yl)methanol?
The InChIKey is ZKFWJDXPMSASAF-WORMITQPSA-N. The full InChI is InChI=1S/C16H13NO/c18-11-13-10-16(12-6-2-1-3-7-12)17-15-9-5-4-8-14(13)15/h1-10,18H,11H2/i11D.
What are the key properties of deuterio-(2-phenylquinolin-4-yl)methanol?
deuterio-(2-phenylquinolin-4-yl)methanol has a molecular weight of 236.29 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 deuterio-(2-phenylquinolin-4-yl)methanol is sourced from PubChem (CID 88591215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).