4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol

C18H20FNO — CID 82959129

IUPAC4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol
SMILESCC1CCc2ccccc2N1C(C)c1cc(F)ccc1O
InChIInChI=1S/C18H20FNO/c1-12-7-8-14-5-3-4-6-17(14)20(12)13(2)16-11-15(19)9-10-18(16)21/h3-6,9-13,21H,7-8H2,1-2H3
InChIKeyMHKMHSUQJYNKCO-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.43
Rot. Bonds2

About 4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol

4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol (PubChem CID 82959129) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol
PubChem CID82959129
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol
SMILESCC1CCc2ccccc2N1C(C)c1cc(F)ccc1O
InChIInChI=1S/C18H20FNO/c1-12-7-8-14-5-3-4-6-17(14)20(12)13(2)16-11-15(19)9-10-18(16)21/h3-6,9-13,21H,7-8H2,1-2H3
InChIKeyMHKMHSUQJYNKCO-UHFFFAOYSA-N
XLogP4.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol (CID 82959129) is 4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol is CC1CCc2ccccc2N1C(C)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol?
The InChIKey is MHKMHSUQJYNKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-7-8-14-5-3-4-6-17(14)20(12)13(2)16-11-15(19)9-10-18(16)21/h3-6,9-13,21H,7-8H2,1-2H3.
What are the key properties of 4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol?
4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol has a molecular weight of 285.36 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol is sourced from PubChem (CID 82959129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).