(2-fluoro-4-quinolin-2-ylphenyl)methanol

C16H12FNO — CID 70813231

IUPAC(2-fluoro-4-quinolin-2-ylphenyl)methanol
SMILESOCc1ccc(-c2ccc3ccccc3n2)cc1F
InChIInChI=1S/C16H12FNO/c17-14-9-12(5-6-13(14)10-19)16-8-7-11-3-1-2-4-15(11)18-16/h1-9,19H,10H2
InChIKeySQZAJAJJCIREKR-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.53
Rot. Bonds2

About (2-fluoro-4-quinolin-2-ylphenyl)methanol

(2-fluoro-4-quinolin-2-ylphenyl)methanol (PubChem CID 70813231) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is (2-fluoro-4-quinolin-2-ylphenyl)methanol.

Molecular Properties

Compound Name(2-fluoro-4-quinolin-2-ylphenyl)methanol
PubChem CID70813231
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name(2-fluoro-4-quinolin-2-ylphenyl)methanol
SMILESOCc1ccc(-c2ccc3ccccc3n2)cc1F
InChIInChI=1S/C16H12FNO/c17-14-9-12(5-6-13(14)10-19)16-8-7-11-3-1-2-4-15(11)18-16/h1-9,19H,10H2
InChIKeySQZAJAJJCIREKR-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-quinolin-2-ylphenyl)methanol?
The IUPAC name of (2-fluoro-4-quinolin-2-ylphenyl)methanol (CID 70813231) is (2-fluoro-4-quinolin-2-ylphenyl)methanol.
What is the SMILES notation for (2-fluoro-4-quinolin-2-ylphenyl)methanol?
The canonical SMILES for (2-fluoro-4-quinolin-2-ylphenyl)methanol is OCc1ccc(-c2ccc3ccccc3n2)cc1F.
What is the InChIKey of (2-fluoro-4-quinolin-2-ylphenyl)methanol?
The InChIKey is SQZAJAJJCIREKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-14-9-12(5-6-13(14)10-19)16-8-7-11-3-1-2-4-15(11)18-16/h1-9,19H,10H2.
What are the key properties of (2-fluoro-4-quinolin-2-ylphenyl)methanol?
(2-fluoro-4-quinolin-2-ylphenyl)methanol has a molecular weight of 253.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-quinolin-2-ylphenyl)methanol is sourced from PubChem (CID 70813231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).