[4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol

C27H28FNO3 — CID 58027045

IUPAC[4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol
SMILESCOc1cc(F)ccc1-c1ccc2c(c1COc1ccc(CO)cc1)C(C)=CC(C)(C)N2
InChIInChI=1S/C27H28FNO3/c1-17-14-27(2,3)29-24-12-11-21(22-10-7-19(28)13-25(22)31-4)23(26(17)24)16-32-20-8-5-18(15-30)6-9-20/h5-14,29-30H,15-16H2,1-4H3
InChIKeyWOXFWHZEXYQHSE-UHFFFAOYSA-N
MW433.52 g/mol
LogP6.18
Rot. Bonds6

About [4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol

[4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol (PubChem CID 58027045) has the molecular formula C27H28FNO3 and a molecular weight of 433.52 g/mol. Its IUPAC name is [4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol
PubChem CID58027045
Molecular FormulaC27H28FNO3
Molecular Weight433.52 g/mol
Exact Mass433.21
IUPAC Name[4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol
SMILESCOc1cc(F)ccc1-c1ccc2c(c1COc1ccc(CO)cc1)C(C)=CC(C)(C)N2
InChIInChI=1S/C27H28FNO3/c1-17-14-27(2,3)29-24-12-11-21(22-10-7-19(28)13-25(22)31-4)23(26(17)24)16-32-20-8-5-18(15-30)6-9-20/h5-14,29-30H,15-16H2,1-4H3
InChIKeyWOXFWHZEXYQHSE-UHFFFAOYSA-N
XLogP6.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol?
The IUPAC name of [4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol (CID 58027045) is [4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol?
The canonical SMILES for [4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol is COc1cc(F)ccc1-c1ccc2c(c1COc1ccc(CO)cc1)C(C)=CC(C)(C)N2.
What is the InChIKey of [4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol?
The InChIKey is WOXFWHZEXYQHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO3/c1-17-14-27(2,3)29-24-12-11-21(22-10-7-19(28)13-25(22)31-4)23(26(17)24)16-32-20-8-5-18(15-30)6-9-20/h5-14,29-30H,15-16H2,1-4H3.
What are the key properties of [4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol?
[4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol has a molecular weight of 433.52 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 58027045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).