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

C26H18F2O4 — CID 102327200

IUPAC[8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc2ccc(OC)c(C(=O)c3ccc(F)cc3)c2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C26H18F2O4/c1-31-20-13-7-15-8-14-21(32-2)24(26(30)17-5-11-19(28)12-6-17)22(15)23(20)25(29)16-3-9-18(27)10-4-16/h3-14H,1-2H3
InChIKeyCONHGNPPBKFFPZ-UHFFFAOYSA-N
MW432.42 g/mol
LogP5.60
Rot. Bonds6

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

[8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone (PubChem CID 102327200) has the molecular formula C26H18F2O4 and a molecular weight of 432.42 g/mol. Its IUPAC name is [8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone
PubChem CID102327200
Molecular FormulaC26H18F2O4
Molecular Weight432.42 g/mol
Exact Mass432.12
IUPAC Name[8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc2ccc(OC)c(C(=O)c3ccc(F)cc3)c2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C26H18F2O4/c1-31-20-13-7-15-8-14-21(32-2)24(26(30)17-5-11-19(28)12-6-17)22(15)23(20)25(29)16-3-9-18(27)10-4-16/h3-14H,1-2H3
InChIKeyCONHGNPPBKFFPZ-UHFFFAOYSA-N
XLogP5.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.42
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone (CID 102327200) is [8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone is COc1ccc2ccc(OC)c(C(=O)c3ccc(F)cc3)c2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of [8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is CONHGNPPBKFFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2O4/c1-31-20-13-7-15-8-14-21(32-2)24(26(30)17-5-11-19(28)12-6-17)22(15)23(20)25(29)16-3-9-18(27)10-4-16/h3-14H,1-2H3.
What are the key properties of [8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone?
[8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 432.42 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-fluorobenzoyl)-2,7-dimethoxynaphthalen-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 102327200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).