(E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one

C32H26FNO4 — CID 171343697

IUPAC(E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=N/Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H26FNO4/c1-36-28-15-3-23(4-16-28)7-21-31(25-11-19-29(37-2)20-12-25)34-38-30-17-5-24(6-18-30)8-22-32(35)26-9-13-27(33)14-10-26/h3-22H,1-2H3/b21-7+,22-8+,34-31-
InChIKeyXRWOGUBTQNJHSD-NAYFDBJDSA-N
MW507.56 g/mol
LogP7.24
Rot. Bonds10

About (E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one

(E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 171343697) has the molecular formula C32H26FNO4 and a molecular weight of 507.56 g/mol. Its IUPAC name is (E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID171343697
Molecular FormulaC32H26FNO4
Molecular Weight507.56 g/mol
Exact Mass507.18
IUPAC Name(E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=N/Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H26FNO4/c1-36-28-15-3-23(4-16-28)7-21-31(25-11-19-29(37-2)20-12-25)34-38-30-17-5-24(6-18-30)8-22-32(35)26-9-13-27(33)14-10-26/h3-22H,1-2H3/b21-7+,22-8+,34-31-
InChIKeyXRWOGUBTQNJHSD-NAYFDBJDSA-N
XLogP7.24
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 8856238
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774
(E)-3-(4-methoxyphenyl)-1-(4-pyrazol-1-ylphenyl)prop-2-en-1-one
CID 24971019
(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine
CID 102344328
1-[(3E)-1,1-difluoro-4-(4-fluorophenyl)buta-1,3-dien-2-yl]-4-methoxybenzene
CID 11500240
(E)-1-(4-methoxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one
CID 6000631

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one (CID 171343697) is (E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=N/Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is XRWOGUBTQNJHSD-NAYFDBJDSA-N. The full InChI is InChI=1S/C32H26FNO4/c1-36-28-15-3-23(4-16-28)7-21-31(25-11-19-29(37-2)20-12-25)34-38-30-17-5-24(6-18-30)8-22-32(35)26-9-13-27(33)14-10-26/h3-22H,1-2H3/b21-7+,22-8+,34-31-.
What are the key properties of (E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one?
(E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 507.56 g/mol, XLogP of 7.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(Z)-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]amino]oxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 171343697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).