2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol

C29H26N2O3 — CID 174989435

IUPAC2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol
SMILESCc1ccc2cccc(Oc3c(C)c(O)c(C)c(Oc4cccc5ccc(C)nc45)c3C)c2n1
InChIInChI=1S/C29H26N2O3/c1-16-12-14-21-8-6-10-23(25(21)30-16)33-28-18(3)27(32)19(4)29(20(28)5)34-24-11-7-9-22-15-13-17(2)31-26(22)24/h6-15,32H,1-5H3
InChIKeyDILRIVMOIMRRGH-UHFFFAOYSA-N
MW450.54 g/mol
LogP7.62
Rot. Bonds4

About 2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol

2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol (PubChem CID 174989435) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol.

Molecular Properties

Compound Name2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol
PubChem CID174989435
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Name2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol
SMILESCc1ccc2cccc(Oc3c(C)c(O)c(C)c(Oc4cccc5ccc(C)nc45)c3C)c2n1
InChIInChI=1S/C29H26N2O3/c1-16-12-14-21-8-6-10-23(25(21)30-16)33-28-18(3)27(32)19(4)29(20(28)5)34-24-11-7-9-22-15-13-17(2)31-26(22)24/h6-15,32H,1-5H3
InChIKeyDILRIVMOIMRRGH-UHFFFAOYSA-N
XLogP7.62
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(2-methylquinolin-8-yl)oxyquinolin-8-ol
CID 143770480
3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol
CID 174989635
CID 20665518
CID 20665518
CID 66916636
CID 66916636
CID 6371660
CID 6371660
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
CID 173009222
CID 173009222
CID 172780914
CID 172780914
tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))
CID 173129908
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline
CID 60789943

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol?
The IUPAC name of 2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol (CID 174989435) is 2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol.
What is the SMILES notation for 2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol?
The canonical SMILES for 2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol is Cc1ccc2cccc(Oc3c(C)c(O)c(C)c(Oc4cccc5ccc(C)nc45)c3C)c2n1.
What is the InChIKey of 2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol?
The InChIKey is DILRIVMOIMRRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-16-12-14-21-8-6-10-23(25(21)30-16)33-28-18(3)27(32)19(4)29(20(28)5)34-24-11-7-9-22-15-13-17(2)31-26(22)24/h6-15,32H,1-5H3.
What are the key properties of 2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol?
2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol has a molecular weight of 450.54 g/mol, XLogP of 7.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol is sourced from PubChem (CID 174989435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).