4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol

C24H19ClFNO3 — CID 70099462

IUPAC4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol
SMILESCc1cc(Cl)cc(COc2cccc(OCc3ccc4cc(F)ccc4n3)c2)c1O
InChIInChI=1S/C24H19ClFNO3/c1-15-9-18(25)10-17(24(15)28)13-29-21-3-2-4-22(12-21)30-14-20-7-5-16-11-19(26)6-8-23(16)27-20/h2-12,28H,13-14H2,1H3
InChIKeyIOXFOOZDHUAZPP-UHFFFAOYSA-N
MW423.87 g/mol
LogP6.20
Rot. Bonds6

About 4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol

4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol (PubChem CID 70099462) has the molecular formula C24H19ClFNO3 and a molecular weight of 423.87 g/mol. Its IUPAC name is 4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol.

Molecular Properties

Compound Name4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol
PubChem CID70099462
Molecular FormulaC24H19ClFNO3
Molecular Weight423.87 g/mol
Exact Mass423.10
IUPAC Name4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol
SMILESCc1cc(Cl)cc(COc2cccc(OCc3ccc4cc(F)ccc4n3)c2)c1O
InChIInChI=1S/C24H19ClFNO3/c1-15-9-18(25)10-17(24(15)28)13-29-21-3-2-4-22(12-21)30-14-20-7-5-16-11-19(26)6-8-23(16)27-20/h2-12,28H,13-14H2,1H3
InChIKeyIOXFOOZDHUAZPP-UHFFFAOYSA-N
XLogP6.20
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.87
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol?
The IUPAC name of 4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol (CID 70099462) is 4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol.
What is the SMILES notation for 4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol?
The canonical SMILES for 4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol is Cc1cc(Cl)cc(COc2cccc(OCc3ccc4cc(F)ccc4n3)c2)c1O.
What is the InChIKey of 4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol?
The InChIKey is IOXFOOZDHUAZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFNO3/c1-15-9-18(25)10-17(24(15)28)13-29-21-3-2-4-22(12-21)30-14-20-7-5-16-11-19(26)6-8-23(16)27-20/h2-12,28H,13-14H2,1H3.
What are the key properties of 4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol?
4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol has a molecular weight of 423.87 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-[(6-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenol is sourced from PubChem (CID 70099462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).