3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol

C20H15F2NO — CID 67646619

IUPAC3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol
SMILESOC=CCc1cccc(C=Cc2ccc3cc(F)c(F)cc3n2)c1
InChIInChI=1S/C20H15F2NO/c21-18-12-16-7-9-17(23-20(16)13-19(18)22)8-6-15-4-1-3-14(11-15)5-2-10-24/h1-4,6-13,24H,5H2
InChIKeyUZZUNTPRFPLISN-UHFFFAOYSA-N
MW323.34 g/mol
LogP5.30
Rot. Bonds4

About 3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol

3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol (PubChem CID 67646619) has the molecular formula C20H15F2NO and a molecular weight of 323.34 g/mol. Its IUPAC name is 3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol.

Molecular Properties

Compound Name3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol
PubChem CID67646619
Molecular FormulaC20H15F2NO
Molecular Weight323.34 g/mol
Exact Mass323.11
IUPAC Name3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol
SMILESOC=CCc1cccc(C=Cc2ccc3cc(F)c(F)cc3n2)c1
InChIInChI=1S/C20H15F2NO/c21-18-12-16-7-9-17(23-20(16)13-19(18)22)8-6-15-4-1-3-14(11-15)5-2-10-24/h1-4,6-13,24H,5H2
InChIKeyUZZUNTPRFPLISN-UHFFFAOYSA-N
XLogP5.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.34
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6,7-difluoro-2-(2-phenylethenyl)quinoline
CID 57258860
1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol
CID 77196103
1-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol
CID 56977613
3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol
CID 10039389
3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde
CID 86747933
ethyl 2-[3-[3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]-3-hydroxypropyl]benzoate
CID 67646788
7-methyl-2-[(E)-2-(3-methylphenyl)ethenyl]quinoline
CID 145316477
7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline
CID 73429919
2-[2-[3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]-2-ethoxyethoxy]-5-methoxybenzoic acid
CID 118296514
1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene
CID 174834493
2-[2-[[3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]anilino]methyl]phenoxy]hexanoic acid
CID 67691514
2-[2-(6,7-difluoroquinolin-2-yl)ethenyl]-7-ethynyl-6H-benzo[c][1]benzoxepin-11-one
CID 90926014

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol?
The IUPAC name of 3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol (CID 67646619) is 3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol.
What is the SMILES notation for 3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol?
The canonical SMILES for 3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol is OC=CCc1cccc(C=Cc2ccc3cc(F)c(F)cc3n2)c1.
What is the InChIKey of 3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol?
The InChIKey is UZZUNTPRFPLISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO/c21-18-12-16-7-9-17(23-20(16)13-19(18)22)8-6-15-4-1-3-14(11-15)5-2-10-24/h1-4,6-13,24H,5H2.
What are the key properties of 3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol?
3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol has a molecular weight of 323.34 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]prop-1-en-1-ol is sourced from PubChem (CID 67646619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).