2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol

C40H61NO3 — CID 174949863

IUPAC2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
SMILESCCOc1ccc2ccccc2n1.Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChIInChI=1S/C29H50O2.C11H11NO/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29;1-2-13-11-8-7-9-5-3-4-6-10(9)12-11/h20-22,30H,9-19H2,1-8H3;3-8H,2H2,1H3/t21?,22?,29-;/m1./s1
InChIKeyQTZOZXYNRNDXNG-FIICNZCFSA-N
MW603.93 g/mol
LogP11.47
Rot. Bonds14

About 2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol

2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol (PubChem CID 174949863) has the molecular formula C40H61NO3 and a molecular weight of 603.93 g/mol. Its IUPAC name is 2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
PubChem CID174949863
Molecular FormulaC40H61NO3
Molecular Weight603.93 g/mol
Exact Mass603.47
IUPAC Name2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
SMILESCCOc1ccc2ccccc2n1.Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChIInChI=1S/C29H50O2.C11H11NO/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29;1-2-13-11-8-7-9-5-3-4-6-10(9)12-11/h20-22,30H,9-19H2,1-8H3;3-8H,2H2,1H3/t21?,22?,29-;/m1./s1
InChIKeyQTZOZXYNRNDXNG-FIICNZCFSA-N
XLogP11.47
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.93
LogP ≤ 511.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol (CID 174949863) is 2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol is CCOc1ccc2ccccc2n1.Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCC(C)CCCC(C)CCCC(C)C)O2.
What is the InChIKey of 2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol?
The InChIKey is QTZOZXYNRNDXNG-FIICNZCFSA-N. The full InChI is InChI=1S/C29H50O2.C11H11NO/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29;1-2-13-11-8-7-9-5-3-4-6-10(9)12-11/h20-22,30H,9-19H2,1-8H3;3-8H,2H2,1H3/t21?,22?,29-;/m1./s1.
What are the key properties of 2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol?
2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol has a molecular weight of 603.93 g/mol, XLogP of 11.47, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyquinoline;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 174949863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).