1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene

C27H20F4O — CID 163764553

IUPAC1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene
SMILESCOc1ccc(-c2ccc(CCc3ccc(-c4ccccc4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C27H20F4O/c1-32-23-16-15-22(26(30)27(23)31)19-10-7-17(8-11-19)9-12-20-13-14-21(25(29)24(20)28)18-5-3-2-4-6-18/h2-8,10-11,13-16H,9,12H2,1H3
InChIKeyMBCXTCQMQLVRLP-UHFFFAOYSA-N
MW436.45 g/mol
LogP7.37
Rot. Bonds6

About 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene

1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene (PubChem CID 163764553) has the molecular formula C27H20F4O and a molecular weight of 436.45 g/mol. Its IUPAC name is 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene.

Molecular Properties

Compound Name1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene
PubChem CID163764553
Molecular FormulaC27H20F4O
Molecular Weight436.45 g/mol
Exact Mass436.15
IUPAC Name1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene
SMILESCOc1ccc(-c2ccc(CCc3ccc(-c4ccccc4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C27H20F4O/c1-32-23-16-15-22(26(30)27(23)31)19-10-7-17(8-11-19)9-12-20-13-14-21(25(29)24(20)28)18-5-3-2-4-6-18/h2-8,10-11,13-16H,9,12H2,1H3
InChIKeyMBCXTCQMQLVRLP-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene
CID 145190540
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 143909052
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
5-[4-[2-[4-[4-(ethoxymethyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorophenyl]-2-methoxypyrimidine
CID 70946215
1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 70946204
1-but-3-enoxy-4-[4-[2-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 89429977
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methoxybenzene
CID 121369860
[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol
CID 58141328
2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 118858642
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene?
The IUPAC name of 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene (CID 163764553) is 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene.
What is the SMILES notation for 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene?
The canonical SMILES for 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene is COc1ccc(-c2ccc(CCc3ccc(-c4ccccc4)c(F)c3F)cc2)c(F)c1F.
What is the InChIKey of 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene?
The InChIKey is MBCXTCQMQLVRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F4O/c1-32-23-16-15-22(26(30)27(23)31)19-10-7-17(8-11-19)9-12-20-13-14-21(25(29)24(20)28)18-5-3-2-4-6-18/h2-8,10-11,13-16H,9,12H2,1H3.
What are the key properties of 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene?
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene has a molecular weight of 436.45 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene is sourced from PubChem (CID 163764553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).