2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol

C14H11F3O2 — CID 118451624

IUPAC2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol
SMILESCCOc1ccc(-c2cccc(F)c2O)c(F)c1F
InChIInChI=1S/C14H11F3O2/c1-2-19-11-7-6-8(12(16)13(11)17)9-4-3-5-10(15)14(9)18/h3-7,18H,2H2,1H3
InChIKeyDXHHXUDNVBTEJD-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol

2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol (PubChem CID 118451624) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol.

Molecular Properties

Compound Name2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol
PubChem CID118451624
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol
SMILESCCOc1ccc(-c2cccc(F)c2O)c(F)c1F
InChIInChI=1S/C14H11F3O2/c1-2-19-11-7-6-8(12(16)13(11)17)9-4-3-5-10(15)14(9)18/h3-7,18H,2H2,1H3
InChIKeyDXHHXUDNVBTEJD-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Equol
CID 91469
Monobenzone
CID 7638
4',7-Dihydroxy-3,4-dihydroisoflavone
CID 382975
4-Methoxybiphenyl
CID 11943
2-(4-Ethoxyphenyl)-2-methylpropanol
CID 158525
4-(4'-Hydroxyphenyl)-2,2,4-trimethylchroman
CID 97788
4-[2-(3-Methoxyphenyl)ethenyl]phenol
CID 5930975
4-Methoxyhonokiol
CID 155160
1,1'-Biphenyl, 4,4'-dimethoxy-
CID 16484
2,4-Bis(1,1-dimethylethyl)-6-((4-methoxyphenyl)methyl)phenol
CID 100577
Benzyl p-tolyl ether
CID 70036
p-(4-(Trifluoromethyl)phenoxy)phenol
CID 170230

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol?
The IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol (CID 118451624) is 2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol.
What is the SMILES notation for 2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol?
The canonical SMILES for 2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol is CCOc1ccc(-c2cccc(F)c2O)c(F)c1F.
What is the InChIKey of 2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol?
The InChIKey is DXHHXUDNVBTEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-2-19-11-7-6-8(12(16)13(11)17)9-4-3-5-10(15)14(9)18/h3-7,18H,2H2,1H3.
What are the key properties of 2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol?
2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol has a molecular weight of 268.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol is sourced from PubChem (CID 118451624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).