[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol

C23H21F3O2 — CID 58141328

IUPAC[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol
SMILESCCOc1ccc(-c2ccc(CCc3ccc(CO)cc3F)cc2)c(F)c1F
InChIInChI=1S/C23H21F3O2/c1-2-28-21-12-11-19(22(25)23(21)26)17-7-3-15(4-8-17)5-9-18-10-6-16(14-27)13-20(18)24/h3-4,6-8,10-13,27H,2,5,9,14H2,1H3
InChIKeyBOPQLPVLEBIJME-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.45
Rot. Bonds7

About [4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol

[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol (PubChem CID 58141328) has the molecular formula C23H21F3O2 and a molecular weight of 386.41 g/mol. Its IUPAC name is [4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol
PubChem CID58141328
Molecular FormulaC23H21F3O2
Molecular Weight386.41 g/mol
Exact Mass386.15
IUPAC Name[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol
SMILESCCOc1ccc(-c2ccc(CCc3ccc(CO)cc3F)cc2)c(F)c1F
InChIInChI=1S/C23H21F3O2/c1-2-28-21-12-11-19(22(25)23(21)26)17-7-3-15(4-8-17)5-9-18-10-6-16(14-27)13-20(18)24/h3-4,6-8,10-13,27H,2,5,9,14H2,1H3
InChIKeyBOPQLPVLEBIJME-UHFFFAOYSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-[2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]ethyl]phenyl]benzene
CID 58140862
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111
1-ethoxy-4-[4-[(4-ethyl-3-fluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 58141772
[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
CID 118188401
1-[4-[2-[4-(4-but-3-enylphenyl)phenyl]ethyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607362
1-but-3-enoxy-4-[4-[2-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 89429977
1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene
CID 118320446
1-[2-[4-(4-but-3-enoxy-3-fluorophenyl)phenyl]ethyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429787
1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
CID 153125542
1-butoxy-2,3-difluoro-4-(4-methylphenyl)benzene;1-butoxy-2,3-difluoro-4-(4-propylphenyl)benzene;2,3-difluoro-1-(4-methylphenyl)-4-pentylbenzene;2,3-difluoro-1-(4-pentylphenyl)-4-propylbenzene;2,3-difluoro-1-pentyl-4-(4-propylphenyl)benzene;2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene;1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene;1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene
CID 158794675
1-(4-butoxycyclohexen-1-yl)-4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-2,3-difluorobenzene
CID 89430290

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol?
The IUPAC name of [4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol (CID 58141328) is [4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol is CCOc1ccc(-c2ccc(CCc3ccc(CO)cc3F)cc2)c(F)c1F.
What is the InChIKey of [4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol?
The InChIKey is BOPQLPVLEBIJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3O2/c1-2-28-21-12-11-19(22(25)23(21)26)17-7-3-15(4-8-17)5-9-18-10-6-16(14-27)13-20(18)24/h3-4,6-8,10-13,27H,2,5,9,14H2,1H3.
What are the key properties of [4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol?
[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol has a molecular weight of 386.41 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol is sourced from PubChem (CID 58141328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).