[2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane

C24H21FNOP — CID 170149479

IUPAC[2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane
SMILESCOCc1ccc(-c2ccc(-c3cc(C)c4cc(P)ccc4n3)cc2F)cc1
InChIInChI=1S/C24H21FNOP/c1-15-11-24(26-23-10-8-19(28)13-21(15)23)18-7-9-20(22(25)12-18)17-5-3-16(4-6-17)14-27-2/h3-13H,14,28H2,1-2H3
InChIKeyMCYLVMWMJUNTRW-UHFFFAOYSA-N
MW389.41 g/mol
LogP5.66
Rot. Bonds4

About [2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane

[2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane (PubChem CID 170149479) has the molecular formula C24H21FNOP and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane.

Molecular Properties

Compound Name[2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane
PubChem CID170149479
Molecular FormulaC24H21FNOP
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name[2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane
SMILESCOCc1ccc(-c2ccc(-c3cc(C)c4cc(P)ccc4n3)cc2F)cc1
InChIInChI=1S/C24H21FNOP/c1-15-11-24(26-23-10-8-19(28)13-21(15)23)18-7-9-20(22(25)12-18)17-5-3-16(4-6-17)14-27-2/h3-13H,14,28H2,1-2H3
InChIKeyMCYLVMWMJUNTRW-UHFFFAOYSA-N
XLogP5.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane?
The IUPAC name of [2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane (CID 170149479) is [2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane.
What is the SMILES notation for [2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane?
The canonical SMILES for [2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane is COCc1ccc(-c2ccc(-c3cc(C)c4cc(P)ccc4n3)cc2F)cc1.
What is the InChIKey of [2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane?
The InChIKey is MCYLVMWMJUNTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FNOP/c1-15-11-24(26-23-10-8-19(28)13-21(15)23)18-7-9-20(22(25)12-18)17-5-3-16(4-6-17)14-27-2/h3-13H,14,28H2,1-2H3.
What are the key properties of [2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane?
[2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane has a molecular weight of 389.41 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]-4-methylquinolin-6-yl]phosphane is sourced from PubChem (CID 170149479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).