4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol

C21H15NO — CID 137229184

IUPAC4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C21H15NO/c23-18-11-6-15(7-12-18)5-9-17-10-13-20-19-4-2-1-3-16(19)8-14-21(20)22-17/h1-14,23H/b9-5+
InChIKeyBFYKEZMYCIQQDP-WEVVVXLNSA-N
MW297.36 g/mol
LogP5.26
Rot. Bonds2

About 4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol

4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol (PubChem CID 137229184) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol
PubChem CID137229184
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C21H15NO/c23-18-11-6-15(7-12-18)5-9-17-10-13-20-19-4-2-1-3-16(19)8-14-21(20)22-17/h1-14,23H/b9-5+
InChIKeyBFYKEZMYCIQQDP-WEVVVXLNSA-N
XLogP5.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(2-benzo[f]quinolin-3-ylethenyl)phenol
CID 137229369
3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline
CID 155569959
benzo[f]quinoline-3-carbaldehyde
CID 102020467
[4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenyl]methyl 3-[4-[4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenoxy]butoxy]naphthalene-2-carboxylate
CID 138115787
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810
2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid
CID 4998938
2-(2-phenylethenyl)quinolin-6-amine
CID 54111985
2-[(E)-2-phenylethenyl]quinolin-6-amine
CID 18506496

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol?
The IUPAC name of 4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol (CID 137229184) is 4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol?
The canonical SMILES for 4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol is Oc1ccc(/C=C/c2ccc3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol?
The InChIKey is BFYKEZMYCIQQDP-WEVVVXLNSA-N. The full InChI is InChI=1S/C21H15NO/c23-18-11-6-15(7-12-18)5-9-17-10-13-20-19-4-2-1-3-16(19)8-14-21(20)22-17/h1-14,23H/b9-5+.
What are the key properties of 4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol?
4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol has a molecular weight of 297.36 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol is sourced from PubChem (CID 137229184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).