2-tert-butyl-6-phenylmethoxyquinoline

C20H21NO — CID 20709519

IUPAC2-tert-butyl-6-phenylmethoxyquinoline
SMILESCC(C)(C)c1ccc2cc(OCc3ccccc3)ccc2n1
InChIInChI=1S/C20H21NO/c1-20(2,3)19-12-9-16-13-17(10-11-18(16)21-19)22-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKeyYSICGCTYCMXFCY-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.11
Rot. Bonds3

About 2-tert-butyl-6-phenylmethoxyquinoline

2-tert-butyl-6-phenylmethoxyquinoline (PubChem CID 20709519) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-tert-butyl-6-phenylmethoxyquinoline.

Molecular Properties

Compound Name2-tert-butyl-6-phenylmethoxyquinoline
PubChem CID20709519
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name2-tert-butyl-6-phenylmethoxyquinoline
SMILESCC(C)(C)c1ccc2cc(OCc3ccccc3)ccc2n1
InChIInChI=1S/C20H21NO/c1-20(2,3)19-12-9-16-13-17(10-11-18(16)21-19)22-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKeyYSICGCTYCMXFCY-UHFFFAOYSA-N
XLogP5.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-phenylmethoxyquinoline
CID 82580854
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid
CID 146493068
N-tert-butyl-1-(2-chloro-6-phenylmethoxyquinolin-3-yl)methanimine oxide
CID 170692258
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
CID 141463365
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-methyl-1-(4-methyl-6-phenylmethoxyquinolin-2-yl)propan-2-amine
CID 82577312
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-phenylmethoxyquinoline?
The IUPAC name of 2-tert-butyl-6-phenylmethoxyquinoline (CID 20709519) is 2-tert-butyl-6-phenylmethoxyquinoline.
What is the SMILES notation for 2-tert-butyl-6-phenylmethoxyquinoline?
The canonical SMILES for 2-tert-butyl-6-phenylmethoxyquinoline is CC(C)(C)c1ccc2cc(OCc3ccccc3)ccc2n1.
What is the InChIKey of 2-tert-butyl-6-phenylmethoxyquinoline?
The InChIKey is YSICGCTYCMXFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-20(2,3)19-12-9-16-13-17(10-11-18(16)21-19)22-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3.
What are the key properties of 2-tert-butyl-6-phenylmethoxyquinoline?
2-tert-butyl-6-phenylmethoxyquinoline has a molecular weight of 291.39 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-phenylmethoxyquinoline is sourced from PubChem (CID 20709519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).