2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol

C19H15FO2 — CID 70228737

IUPAC2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol
SMILESC=C(OC)c1ccc2cccc(-c3cccc(F)c3O)c2c1
InChIInChI=1S/C19H15FO2/c1-12(22-2)14-10-9-13-5-3-6-15(17(13)11-14)16-7-4-8-18(20)19(16)21/h3-11,21H,1H2,2H3
InChIKeyVZPNWCALDXAZGP-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.97
Rot. Bonds3

About 2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol

2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol (PubChem CID 70228737) has the molecular formula C19H15FO2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol
PubChem CID70228737
Molecular FormulaC19H15FO2
Molecular Weight294.33 g/mol
Exact Mass294.11
IUPAC Name2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol
SMILESC=C(OC)c1ccc2cccc(-c3cccc(F)c3O)c2c1
InChIInChI=1S/C19H15FO2/c1-12(22-2)14-10-9-13-5-3-6-15(17(13)11-14)16-7-4-8-18(20)19(16)21/h3-11,21H,1H2,2H3
InChIKeyVZPNWCALDXAZGP-UHFFFAOYSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.97
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 2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol?
The IUPAC name of 2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol (CID 70228737) is 2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol.
What is the SMILES notation for 2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol?
The canonical SMILES for 2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol is C=C(OC)c1ccc2cccc(-c3cccc(F)c3O)c2c1.
What is the InChIKey of 2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol?
The InChIKey is VZPNWCALDXAZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO2/c1-12(22-2)14-10-9-13-5-3-6-15(17(13)11-14)16-7-4-8-18(20)19(16)21/h3-11,21H,1H2,2H3.
What are the key properties of 2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol?
2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol has a molecular weight of 294.33 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol is sourced from PubChem (CID 70228737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).