2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane

C29H24F6O3 — CID 144909638

IUPAC2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane
SMILESCC.COc1ccc(-c2cc(F)c(O)c(F)c2)c(F)c1.Cc1ccc(-c2cc(F)c(C=O)c(F)c2)c(F)c1
InChIInChI=1S/C14H9F3O.C13H9F3O2.C2H6/c1-8-2-3-10(12(15)4-8)9-5-13(16)11(7-18)14(17)6-9;1-18-8-2-3-9(10(14)6-8)7-4-11(15)13(17)12(16)5-7;1-2/h2-7H,1H3;2-6,17H,1H3;1-2H3
InChIKeyIXWWLNKBFFLVHS-UHFFFAOYSA-N
MW534.50 g/mol
LogP8.40
Rot. Bonds4

About 2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane

2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane (PubChem CID 144909638) has the molecular formula C29H24F6O3 and a molecular weight of 534.50 g/mol. Its IUPAC name is 2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane.

Molecular Properties

Compound Name2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane
PubChem CID144909638
Molecular FormulaC29H24F6O3
Molecular Weight534.50 g/mol
Exact Mass534.16
IUPAC Name2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane
SMILESCC.COc1ccc(-c2cc(F)c(O)c(F)c2)c(F)c1.Cc1ccc(-c2cc(F)c(C=O)c(F)c2)c(F)c1
InChIInChI=1S/C14H9F3O.C13H9F3O2.C2H6/c1-8-2-3-10(12(15)4-8)9-5-13(16)11(7-18)14(17)6-9;1-18-8-2-3-9(10(14)6-8)7-4-11(15)13(17)12(16)5-7;1-2/h2-7H,1H3;2-6,17H,1H3;1-2H3
InChIKeyIXWWLNKBFFLVHS-UHFFFAOYSA-N
XLogP8.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.50
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599763
2-(2-fluoro-4-methoxyphenyl)-4-methylphenol
CID 83130401
4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876954
2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
CID 54910502
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde
CID 135055450
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701
5-(2-fluoro-4-methoxyphenyl)-2-methoxyphenol
CID 53220882
ethane;methyl 3-(2-fluoro-4-methylphenyl)-5-methylbenzoate
CID 143667163
2-fluoro-4-(2-fluoro-4-methylphenyl)phenol
CID 53219309
2-chloro-5-(2-fluoro-4-methoxyphenyl)phenol
CID 53221331

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane?
The IUPAC name of 2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane (CID 144909638) is 2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane.
What is the SMILES notation for 2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane?
The canonical SMILES for 2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane is CC.COc1ccc(-c2cc(F)c(O)c(F)c2)c(F)c1.Cc1ccc(-c2cc(F)c(C=O)c(F)c2)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane?
The InChIKey is IXWWLNKBFFLVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O.C13H9F3O2.C2H6/c1-8-2-3-10(12(15)4-8)9-5-13(16)11(7-18)14(17)6-9;1-18-8-2-3-9(10(14)6-8)7-4-11(15)13(17)12(16)5-7;1-2/h2-7H,1H3;2-6,17H,1H3;1-2H3.
What are the key properties of 2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane?
2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane has a molecular weight of 534.50 g/mol, XLogP of 8.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane is sourced from PubChem (CID 144909638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).