1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol

C20H16F2O2 — CID 70228701

IUPAC1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol
SMILESC=C(O)c1ccc2cccc(-c3c(F)cc(COC)cc3F)c2c1
InChIInChI=1S/C20H16F2O2/c1-12(23)15-7-6-14-4-3-5-16(17(14)10-15)20-18(21)8-13(11-24-2)9-19(20)22/h3-10,23H,1,11H2,2H3
InChIKeyBIHMZRKUMPDDSE-UHFFFAOYSA-N
MW326.34 g/mol
LogP5.46
Rot. Bonds4

About 1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol

1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol (PubChem CID 70228701) has the molecular formula C20H16F2O2 and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol.

Molecular Properties

Compound Name1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol
PubChem CID70228701
Molecular FormulaC20H16F2O2
Molecular Weight326.34 g/mol
Exact Mass326.11
IUPAC Name1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol
SMILESC=C(O)c1ccc2cccc(-c3c(F)cc(COC)cc3F)c2c1
InChIInChI=1S/C20H16F2O2/c1-12(23)15-7-6-14-4-3-5-16(17(14)10-15)20-18(21)8-13(11-24-2)9-19(20)22/h3-10,23H,1,11H2,2H3
InChIKeyBIHMZRKUMPDDSE-UHFFFAOYSA-N
XLogP5.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.34
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol?
The IUPAC name of 1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol (CID 70228701) is 1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol.
What is the SMILES notation for 1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol?
The canonical SMILES for 1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol is C=C(O)c1ccc2cccc(-c3c(F)cc(COC)cc3F)c2c1.
What is the InChIKey of 1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol?
The InChIKey is BIHMZRKUMPDDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O2/c1-12(23)15-7-6-14-4-3-5-16(17(14)10-15)20-18(21)8-13(11-24-2)9-19(20)22/h3-10,23H,1,11H2,2H3.
What are the key properties of 1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol?
1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol has a molecular weight of 326.34 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[2,6-difluoro-4-(methoxymethyl)phenyl]naphthalen-2-yl]ethenol is sourced from PubChem (CID 70228701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).