8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline

C17H18FNO2 — CID 61027694

IUPAC8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(F)cc1COc1cccc2c1NCCC2
InChIInChI=1S/C17H18FNO2/c1-20-15-8-7-14(18)10-13(15)11-21-16-6-2-4-12-5-3-9-19-17(12)16/h2,4,6-8,10,19H,3,5,9,11H2,1H3
InChIKeyZKIIKZHVXXNJBX-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.77
Rot. Bonds4

About 8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline

8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 61027694) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID61027694
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(F)cc1COc1cccc2c1NCCC2
InChIInChI=1S/C17H18FNO2/c1-20-15-8-7-14(18)10-13(15)11-21-16-6-2-4-12-5-3-9-19-17(12)16/h2,4,6-8,10,19H,3,5,9,11H2,1H3
InChIKeyZKIIKZHVXXNJBX-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 61027694) is 8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline is COc1ccc(F)cc1COc1cccc2c1NCCC2.
What is the InChIKey of 8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZKIIKZHVXXNJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-20-15-8-7-14(18)10-13(15)11-21-16-6-2-4-12-5-3-9-19-17(12)16/h2,4,6-8,10,19H,3,5,9,11H2,1H3.
What are the key properties of 8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 287.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 61027694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).