3-fluoro-4-(quinolin-2-ylmethyl)phenol

C16H12FNO — CID 83129838

IUPAC3-fluoro-4-(quinolin-2-ylmethyl)phenol
SMILESOc1ccc(Cc2ccc3ccccc3n2)c(F)c1
InChIInChI=1S/C16H12FNO/c17-15-10-14(19)8-6-12(15)9-13-7-5-11-3-1-2-4-16(11)18-13/h1-8,10,19H,9H2
InChIKeyTVMXVJVAGIVMGR-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.67
Rot. Bonds2

About 3-fluoro-4-(quinolin-2-ylmethyl)phenol

3-fluoro-4-(quinolin-2-ylmethyl)phenol (PubChem CID 83129838) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-fluoro-4-(quinolin-2-ylmethyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(quinolin-2-ylmethyl)phenol
PubChem CID83129838
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name3-fluoro-4-(quinolin-2-ylmethyl)phenol
SMILESOc1ccc(Cc2ccc3ccccc3n2)c(F)c1
InChIInChI=1S/C16H12FNO/c17-15-10-14(19)8-6-12(15)9-13-7-5-11-3-1-2-4-16(11)18-13/h1-8,10,19H,9H2
InChIKeyTVMXVJVAGIVMGR-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-(quinolin-2-ylmethyl)phenyl]methanamine
CID 66159539
3-chloro-4-(quinolin-2-ylmethyl)aniline
CID 107615850
5-methyl-2-(quinolin-2-ylmethyl)benzoic acid
CID 81111502
7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
(2-fluoro-4-quinolin-2-ylphenyl)methanol
CID 70813231
[3-fluoro-2-(quinolin-2-ylmethoxy)phenyl]methanol
CID 115956404
3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol
CID 83130460
2-(2-quinolin-2-ylethyl)phenol;hydrochloride
CID 90025480
2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol
CID 2104010
CID 89210421
CID 89210421
1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone
CID 62515015
1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
CID 28935285

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(quinolin-2-ylmethyl)phenol?
The IUPAC name of 3-fluoro-4-(quinolin-2-ylmethyl)phenol (CID 83129838) is 3-fluoro-4-(quinolin-2-ylmethyl)phenol.
What is the SMILES notation for 3-fluoro-4-(quinolin-2-ylmethyl)phenol?
The canonical SMILES for 3-fluoro-4-(quinolin-2-ylmethyl)phenol is Oc1ccc(Cc2ccc3ccccc3n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(quinolin-2-ylmethyl)phenol?
The InChIKey is TVMXVJVAGIVMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-15-10-14(19)8-6-12(15)9-13-7-5-11-3-1-2-4-16(11)18-13/h1-8,10,19H,9H2.
What are the key properties of 3-fluoro-4-(quinolin-2-ylmethyl)phenol?
3-fluoro-4-(quinolin-2-ylmethyl)phenol has a molecular weight of 253.28 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(quinolin-2-ylmethyl)phenol is sourced from PubChem (CID 83129838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).