1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene

C24H21ClF2O — CID 138965443

IUPAC1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene
SMILESCC(C)(CC(=C(F)F)c1ccc(-c2ccccc2)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C24H21ClF2O/c1-24(2,28-21-14-12-20(25)13-15-21)16-22(23(26)27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3
InChIKeySQLVIPKKKCIBRZ-UHFFFAOYSA-N
MW398.88 g/mol
LogP7.86
Rot. Bonds6

About 1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene

1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene (PubChem CID 138965443) has the molecular formula C24H21ClF2O and a molecular weight of 398.88 g/mol. Its IUPAC name is 1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene.

Molecular Properties

Compound Name1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene
PubChem CID138965443
Molecular FormulaC24H21ClF2O
Molecular Weight398.88 g/mol
Exact Mass398.12
IUPAC Name1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene
SMILESCC(C)(CC(=C(F)F)c1ccc(-c2ccccc2)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C24H21ClF2O/c1-24(2,28-21-14-12-20(25)13-15-21)16-22(23(26)27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3
InChIKeySQLVIPKKKCIBRZ-UHFFFAOYSA-N
XLogP7.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.88
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene?
The IUPAC name of 1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene (CID 138965443) is 1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene.
What is the SMILES notation for 1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene?
The canonical SMILES for 1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene is CC(C)(CC(=C(F)F)c1ccc(-c2ccccc2)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene?
The InChIKey is SQLVIPKKKCIBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2O/c1-24(2,28-21-14-12-20(25)13-15-21)16-22(23(26)27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3.
What are the key properties of 1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene?
1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene has a molecular weight of 398.88 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[5,5-difluoro-2-methyl-4-(4-phenylphenyl)pent-4-en-2-yl]oxybenzene is sourced from PubChem (CID 138965443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).