1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene

C27H21F3O2 — CID 153125542

IUPAC1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
SMILESCCOc1ccc(COc2ccc(-c3ccc(-c4ccccc4)c(F)c3F)cc2)cc1F
InChIInChI=1S/C27H21F3O2/c1-2-31-25-15-8-18(16-24(25)28)17-32-21-11-9-20(10-12-21)23-14-13-22(26(29)27(23)30)19-6-4-3-5-7-19/h3-16H,2,17H2,1H3
InChIKeyVVSKHAFPDTZDFT-UHFFFAOYSA-N
MW434.46 g/mol
LogP7.42
Rot. Bonds7

About 1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene

1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene (PubChem CID 153125542) has the molecular formula C27H21F3O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene.

Molecular Properties

Compound Name1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
PubChem CID153125542
Molecular FormulaC27H21F3O2
Molecular Weight434.46 g/mol
Exact Mass434.15
IUPAC Name1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
SMILESCCOc1ccc(COc2ccc(-c3ccc(-c4ccccc4)c(F)c3F)cc2)cc1F
InChIInChI=1S/C27H21F3O2/c1-2-31-25-15-8-18(16-24(25)28)17-32-21-11-9-20(10-12-21)23-14-13-22(26(29)27(23)30)19-6-4-3-5-7-19/h3-16H,2,17H2,1H3
InChIKeyVVSKHAFPDTZDFT-UHFFFAOYSA-N
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-4-[4-[(4-ethyl-3-fluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 58141772
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
1-(4-ethoxycyclohexyl)-2,3-difluoro-4-[4-[(3-fluoro-4-prop-2-enoxyphenyl)methoxy]phenyl]benzene
CID 89430512
1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470948
2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene
CID 58140637
1-[4-[(4-but-3-enoxy-3-fluorophenoxy)methyl]phenyl]-4-(4-butoxyphenyl)-2,3-difluorobenzene
CID 89430722
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470558
[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
CID 118188401
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol
CID 58141328
1-[[4-(4-butoxy-2-fluorophenyl)phenyl]methoxy]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 89429715

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene?
The IUPAC name of 1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene (CID 153125542) is 1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene.
What is the SMILES notation for 1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene?
The canonical SMILES for 1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene is CCOc1ccc(COc2ccc(-c3ccc(-c4ccccc4)c(F)c3F)cc2)cc1F.
What is the InChIKey of 1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene?
The InChIKey is VVSKHAFPDTZDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3O2/c1-2-31-25-15-8-18(16-24(25)28)17-32-21-11-9-20(10-12-21)23-14-13-22(26(29)27(23)30)19-6-4-3-5-7-19/h3-16H,2,17H2,1H3.
What are the key properties of 1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene?
1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene has a molecular weight of 434.46 g/mol, XLogP of 7.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene is sourced from PubChem (CID 153125542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).