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

C15H13F3O2 — CID 118188401

IUPAC[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
SMILESCCOc1ccc(-c2ccc(CO)c(F)c2F)cc1F
InChIInChI=1S/C15H13F3O2/c1-2-20-13-6-4-9(7-12(13)16)11-5-3-10(8-19)14(17)15(11)18/h3-7,19H,2,8H2,1H3
InChIKeyXRFHMSJDGXAULU-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.66
Rot. Bonds4

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

[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol (PubChem CID 118188401) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is [4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
PubChem CID118188401
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
SMILESCCOc1ccc(-c2ccc(CO)c(F)c2F)cc1F
InChIInChI=1S/C15H13F3O2/c1-2-20-13-6-4-9(7-12(13)16)11-5-3-10(8-19)14(17)15(11)18/h3-7,19H,2,8H2,1H3
InChIKeyXRFHMSJDGXAULU-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
[4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol
CID 76658350
[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol
CID 58141328
[2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol
CID 172651631
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470558
1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470948
1-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]oxymethyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429667
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene
CID 58140954
1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
CID 153125542
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol?
The IUPAC name of [4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol (CID 118188401) is [4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol.
What is the SMILES notation for [4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol?
The canonical SMILES for [4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol is CCOc1ccc(-c2ccc(CO)c(F)c2F)cc1F.
What is the InChIKey of [4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol?
The InChIKey is XRFHMSJDGXAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-2-20-13-6-4-9(7-12(13)16)11-5-3-10(8-19)14(17)15(11)18/h3-7,19H,2,8H2,1H3.
What are the key properties of [4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol?
[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol has a molecular weight of 282.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol is sourced from PubChem (CID 118188401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).