[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone

C38H23ClF2O4 — CID 101215966

IUPAC[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(F)cc4)cc3)c(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C38H23ClF2O4/c39-29-11-1-24(2-12-29)35-23-34(44-32-17-7-27(8-18-32)37(42)25-3-13-30(40)14-4-25)21-22-36(35)45-33-19-9-28(10-20-33)38(43)26-5-15-31(41)16-6-26/h1-23H
InChIKeyFCKHFVFNHZHVHT-UHFFFAOYSA-N
MW617.05 g/mol
LogP10.33
Rot. Bonds9

About [4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone

[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone (PubChem CID 101215966) has the molecular formula C38H23ClF2O4 and a molecular weight of 617.05 g/mol. Its IUPAC name is [4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone
PubChem CID101215966
Molecular FormulaC38H23ClF2O4
Molecular Weight617.05 g/mol
Exact Mass616.13
IUPAC Name[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(F)cc4)cc3)c(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C38H23ClF2O4/c39-29-11-1-24(2-12-29)35-23-34(44-32-17-7-27(8-18-32)37(42)25-3-13-30(40)14-4-25)21-22-36(35)45-33-19-9-28(10-20-33)38(43)26-5-15-31(41)16-6-26/h1-23H
InChIKeyFCKHFVFNHZHVHT-UHFFFAOYSA-N
XLogP10.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.05
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone with MolForge

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Related Compounds

bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride
CID 101011694
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone
CID 59755419
[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
CID 59847037
[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 59847031
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone
CID 91388813
[4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate
CID 7934693
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59755388
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
4-(2,4-difluorophenoxy)benzoyl chloride
CID 90119275
2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone (CID 101215966) is [4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(F)cc4)cc3)c(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of [4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is FCKHFVFNHZHVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23ClF2O4/c39-29-11-1-24(2-12-29)35-23-34(44-32-17-7-27(8-18-32)37(42)25-3-13-30(40)14-4-25)21-22-36(35)45-33-19-9-28(10-20-33)38(43)26-5-15-31(41)16-6-26/h1-23H.
What are the key properties of [4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone?
[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 617.05 g/mol, XLogP of 10.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 101215966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).