2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene

C25H20F4O — CID 139967121

IUPAC2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene
SMILESCCCc1ccc(COc2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)cc1
InChIInChI=1S/C25H20F4O/c1-2-3-15-4-6-16(7-5-15)14-30-20-12-23(28)25(24(29)13-20)19-8-17-10-21(26)22(27)11-18(17)9-19/h4-8,10-13H,2-3,9,14H2,1H3
InChIKeyBHNMACCYHVHUJZ-UHFFFAOYSA-N
MW412.43 g/mol
LogP6.87
Rot. Bonds6

About 2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene

2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene (PubChem CID 139967121) has the molecular formula C25H20F4O and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene
PubChem CID139967121
Molecular FormulaC25H20F4O
Molecular Weight412.43 g/mol
Exact Mass412.15
IUPAC Name2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene
SMILESCCCc1ccc(COc2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)cc1
InChIInChI=1S/C25H20F4O/c1-2-3-15-4-6-16(7-5-15)14-30-20-12-23(28)25(24(29)13-20)19-8-17-10-21(26)22(27)11-18(17)9-19/h4-8,10-13H,2-3,9,14H2,1H3
InChIKeyBHNMACCYHVHUJZ-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.43
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967120
5,6-difluoro-2-propyl-1H-indene
CID 139945533
3-(4-butylphenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961229
3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961103
2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
CID 139967145
1,2,3-trifluoro-5-[[4-(4-propylphenyl)phenoxy]methyl]benzene
CID 90411734
4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol
CID 131983294
6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene
CID 139948811
5-[2-(4-ethylphenyl)ethyl]-2-(4-propylphenyl)-1H-indene
CID 140812744
[2-fluoro-5-[(4-propylphenoxy)methyl]phenyl]boronic acid
CID 62548043
2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile
CID 107882225
5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene
CID 153469877

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene?
The IUPAC name of 2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene (CID 139967121) is 2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene.
What is the SMILES notation for 2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene?
The canonical SMILES for 2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene is CCCc1ccc(COc2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)cc1.
What is the InChIKey of 2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene?
The InChIKey is BHNMACCYHVHUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4O/c1-2-3-15-4-6-16(7-5-15)14-30-20-12-23(28)25(24(29)13-20)19-8-17-10-21(26)22(27)11-18(17)9-19/h4-8,10-13H,2-3,9,14H2,1H3.
What are the key properties of 2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene?
2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene has a molecular weight of 412.43 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene is sourced from PubChem (CID 139967121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).