[2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone

C28H22F2O4 — CID 102103468

IUPAC[2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone
SMILESCCOc1ccc2ccc(OCC)c(C(=O)c3ccc(F)cc3)c2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C28H22F2O4/c1-3-33-22-15-9-17-10-16-23(34-4-2)26(28(32)19-7-13-21(30)14-8-19)24(17)25(22)27(31)18-5-11-20(29)12-6-18/h5-16H,3-4H2,1-2H3
InChIKeyCAEFOZBQHYDXFH-UHFFFAOYSA-N
MW460.48 g/mol
LogP6.38
Rot. Bonds8

About [2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone

[2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone (PubChem CID 102103468) has the molecular formula C28H22F2O4 and a molecular weight of 460.48 g/mol. Its IUPAC name is [2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone
PubChem CID102103468
Molecular FormulaC28H22F2O4
Molecular Weight460.48 g/mol
Exact Mass460.15
IUPAC Name[2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone
SMILESCCOc1ccc2ccc(OCC)c(C(=O)c3ccc(F)cc3)c2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C28H22F2O4/c1-3-33-22-15-9-17-10-16-23(34-4-2)26(28(32)19-7-13-21(30)14-8-19)24(17)25(22)27(31)18-5-11-20(29)12-6-18/h5-16H,3-4H2,1-2H3
InChIKeyCAEFOZBQHYDXFH-UHFFFAOYSA-N
XLogP6.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.48
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone 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

Beta-Naphthoflavone
CID 2361
Alpha-Naphthoflavone
CID 11790
Cra 13
CID 9799417
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
3',4'-Dimethoxy-alpha-naphthoflavone
CID 276138
5,5',6'-Trihydroxy-6,8,8'-trimethoxy-2,2'-dimethyl(7,10'-bi-4H-naphtho(2,3-b)pyran)-4,4'-dione
CID 155008
1,8-Diphenoxyanthraquinone
CID 66501
2-(2-Fluoro-phenyl)-benzo[h]chromen-4-one
CID 11415057
2-(3-Fluoro-phenyl)-benzo[h]chromen-4-one
CID 11471812
2-(4-Methoxyphenyl)benzo[h]chromen-4-one
CID 97548
4H-Naphtho(2,3-b)pyran-4-one, 2-phenyl-
CID 623342
4H-Naphtho[1,2-b]pyran-4-one, 2-(4-hydroxyphenyl)-
CID 676300

Frequently Asked Questions

What is the IUPAC name of [2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone (CID 102103468) is [2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone is CCOc1ccc2ccc(OCC)c(C(=O)c3ccc(F)cc3)c2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of [2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is CAEFOZBQHYDXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2O4/c1-3-33-22-15-9-17-10-16-23(34-4-2)26(28(32)19-7-13-21(30)14-8-19)24(17)25(22)27(31)18-5-11-20(29)12-6-18/h5-16H,3-4H2,1-2H3.
What are the key properties of [2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone?
[2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 460.48 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 102103468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).