2-[2-(4-dodecoxyphenyl)ethenyl]quinoline

C29H37NO — CID 54189264

IUPAC2-[2-(4-dodecoxyphenyl)ethenyl]quinoline
SMILESCCCCCCCCCCCCOc1ccc(C=Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C29H37NO/c1-2-3-4-5-6-7-8-9-10-13-24-31-28-22-17-25(18-23-28)16-20-27-21-19-26-14-11-12-15-29(26)30-27/h11-12,14-23H,2-10,13,24H2,1H3
InChIKeyPHIMWXOXONZCAL-UHFFFAOYSA-N
MW415.62 g/mol
LogP8.70
Rot. Bonds14

About 2-[2-(4-dodecoxyphenyl)ethenyl]quinoline

2-[2-(4-dodecoxyphenyl)ethenyl]quinoline (PubChem CID 54189264) has the molecular formula C29H37NO and a molecular weight of 415.62 g/mol. Its IUPAC name is 2-[2-(4-dodecoxyphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[2-(4-dodecoxyphenyl)ethenyl]quinoline
PubChem CID54189264
Molecular FormulaC29H37NO
Molecular Weight415.62 g/mol
Exact Mass415.29
IUPAC Name2-[2-(4-dodecoxyphenyl)ethenyl]quinoline
SMILESCCCCCCCCCCCCOc1ccc(C=Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C29H37NO/c1-2-3-4-5-6-7-8-9-10-13-24-31-28-22-17-25(18-23-28)16-20-27-21-19-26-14-11-12-15-29(26)30-27/h11-12,14-23H,2-10,13,24H2,1H3
InChIKeyPHIMWXOXONZCAL-UHFFFAOYSA-N
XLogP8.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.62
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-(2,4-didodecoxyphenyl)ethenyl]quinoline
CID 14070072
2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline
CID 11840448
3,6-bis[(E)-2-(4-octadecoxyphenyl)ethenyl]pyridazine
CID 102406567
3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid
CID 52614181
2-[(E)-2-[2-(2,4-dioctoxyphenyl)phenyl]ethenyl]quinoline
CID 141071278
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid
CID 4998938
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
2-[(E)-2-(4-heptoxyphenyl)ethenyl]-5-heptylpyridine
CID 6184347
9,10-bis[(E)-2-(4-heptoxyphenyl)ethenyl]anthracene
CID 102099512
4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-dodecoxyphenyl)ethenyl]quinoline?
The IUPAC name of 2-[2-(4-dodecoxyphenyl)ethenyl]quinoline (CID 54189264) is 2-[2-(4-dodecoxyphenyl)ethenyl]quinoline.
What is the SMILES notation for 2-[2-(4-dodecoxyphenyl)ethenyl]quinoline?
The canonical SMILES for 2-[2-(4-dodecoxyphenyl)ethenyl]quinoline is CCCCCCCCCCCCOc1ccc(C=Cc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[2-(4-dodecoxyphenyl)ethenyl]quinoline?
The InChIKey is PHIMWXOXONZCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO/c1-2-3-4-5-6-7-8-9-10-13-24-31-28-22-17-25(18-23-28)16-20-27-21-19-26-14-11-12-15-29(26)30-27/h11-12,14-23H,2-10,13,24H2,1H3.
What are the key properties of 2-[2-(4-dodecoxyphenyl)ethenyl]quinoline?
2-[2-(4-dodecoxyphenyl)ethenyl]quinoline has a molecular weight of 415.62 g/mol, XLogP of 8.70, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-dodecoxyphenyl)ethenyl]quinoline is sourced from PubChem (CID 54189264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).