3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one

C25H19NO3 — CID 66906700

IUPAC3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one
SMILESCOc1cc(C=CC(=O)c2cnc3ccccc3c2-c2ccccc2)ccc1O
InChIInChI=1S/C25H19NO3/c1-29-24-15-17(12-14-23(24)28)11-13-22(27)20-16-26-21-10-6-5-9-19(21)25(20)18-7-3-2-4-8-18/h2-16,28H,1H3
InChIKeyCEEBTPCVNSWLST-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.51
Rot. Bonds5

About 3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one

3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one (PubChem CID 66906700) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one
PubChem CID66906700
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one
SMILESCOc1cc(C=CC(=O)c2cnc3ccccc3c2-c2ccccc2)ccc1O
InChIInChI=1S/C25H19NO3/c1-29-24-15-17(12-14-23(24)28)11-13-22(27)20-16-26-21-10-6-5-9-19(21)25(20)18-7-3-2-4-8-18/h2-16,28H,1H3
InChIKeyCEEBTPCVNSWLST-UHFFFAOYSA-N
XLogP5.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 6266711
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448318
1-(2,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 3981090
(1E,4E)-1-(4-hydroxy-3-methoxyphenyl)-5-quinolin-3-ylpenta-1,4-dien-3-one
CID 58442633
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 146223481
1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 4636794
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
3-hydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-10H-acridin-9-one
CID 101038953
(E)-1-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 39381963
(E)-1-(4-chloro-2-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 122187514

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one (CID 66906700) is 3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one is COc1cc(C=CC(=O)c2cnc3ccccc3c2-c2ccccc2)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one?
The InChIKey is CEEBTPCVNSWLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3/c1-29-24-15-17(12-14-23(24)28)11-13-22(27)20-16-26-21-10-6-5-9-19(21)25(20)18-7-3-2-4-8-18/h2-16,28H,1H3.
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one?
3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one has a molecular weight of 381.43 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 66906700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).